USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 786 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 THR OG1 : rot 116:sc= 1.19 USER MOD Set 1.2: A 94 ASN : amide:sc= 0.78 K(o=2,f=-4.3) USER MOD Set 2.1: A 50 HIS : no HE2:sc= -6.14! C(o=-6.4!,f=-8!) USER MOD Set 2.2: A 51 ASN :FLIP amide:sc= -0.284 F(o=-9.6,f=-6.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00983 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.333 K(o=-0.33,f=-2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 145:sc= 0.732 (180deg=-1.04!) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.21 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.235 F(o=-1.2,f=-0.24) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -16.7! C(o=-17!,f=-17!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc=-0.00491 X(o=-0.0049,f=0) USER MOD Single : A 45 CYS SG : rot -115:sc= -0.724 USER MOD Single : A 61 SER OG : rot 180:sc= -0.304 USER MOD Single : A 63 THR OG1 : rot 129:sc= -3.01! USER MOD Single : A 74 HIS :FLIP no HE2:sc= -14.4! C(o=-15!,f=-14!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.579 K(o=0.58,f=-2.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 99 HIS : no HD1:sc= -12.8! C(o=-13!,f=-14!) USER MOD Single : A 101 ASN : amide:sc=-0.00208 X(o=-0.0021,f=-0.25) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 5 -6.394 18.572 31.799 1.00 0.00 N ATOM 54 CA LEU A 5 -6.690 17.913 30.538 1.00 0.00 C ATOM 55 C LEU A 5 -7.585 16.700 30.799 1.00 0.00 C ATOM 56 O LEU A 5 -7.736 15.838 29.934 1.00 0.00 O ATOM 57 CB LEU A 5 -5.397 17.574 29.794 1.00 0.00 C ATOM 58 CG LEU A 5 -4.215 18.514 30.041 1.00 0.00 C ATOM 59 CD1 LEU A 5 -3.003 17.743 30.570 1.00 0.00 C ATOM 60 CD2 LEU A 5 -3.879 19.315 28.781 1.00 0.00 C ATOM 0 HA LEU A 5 -7.243 18.582 29.879 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.096 16.564 30.071 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.609 17.562 28.725 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.503 19.230 30.811 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.177 18.434 30.737 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.264 17.255 31.509 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.704 16.990 29.841 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.036 19.975 28.984 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.618 18.631 27.974 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.743 19.910 28.487 1.00 0.00 H new ATOM 72 N VAL A 6 -8.157 16.673 31.994 1.00 0.00 N ATOM 73 CA VAL A 6 -9.033 15.580 32.379 1.00 0.00 C ATOM 74 C VAL A 6 -10.484 16.067 32.368 1.00 0.00 C ATOM 75 O VAL A 6 -11.406 15.276 32.178 1.00 0.00 O ATOM 76 CB VAL A 6 -8.602 15.017 33.735 1.00 0.00 C ATOM 77 CG1 VAL A 6 -9.694 14.126 34.331 1.00 0.00 C ATOM 78 CG2 VAL A 6 -7.279 14.258 33.618 1.00 0.00 C ATOM 0 H VAL A 6 -8.031 17.390 32.708 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.959 14.761 31.663 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.448 15.857 34.412 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.362 13.739 35.294 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.605 14.709 34.468 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.894 13.294 33.655 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.995 13.868 34.596 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.395 13.431 32.917 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.503 14.933 33.258 1.00 0.00 H new ATOM 88 N LYS A 7 -10.639 17.367 32.574 1.00 0.00 N ATOM 89 CA LYS A 7 -11.962 17.968 32.590 1.00 0.00 C ATOM 90 C LYS A 7 -12.441 18.175 31.152 1.00 0.00 C ATOM 91 O LYS A 7 -13.310 19.007 30.897 1.00 0.00 O ATOM 92 CB LYS A 7 -11.958 19.249 33.427 1.00 0.00 C ATOM 93 CG LYS A 7 -12.487 18.984 34.838 1.00 0.00 C ATOM 94 CD LYS A 7 -11.539 18.071 35.618 1.00 0.00 C ATOM 95 CE LYS A 7 -10.772 18.858 36.682 1.00 0.00 C ATOM 96 NZ LYS A 7 -10.732 18.105 37.955 1.00 0.00 N ATOM 0 H LYS A 7 -9.871 18.020 32.731 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.677 17.302 33.072 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.945 19.648 33.483 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.572 20.007 32.941 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.606 19.929 35.369 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.474 18.525 34.780 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.107 17.270 36.092 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.836 17.600 34.932 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.757 19.054 36.337 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.247 19.826 36.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.208 18.653 38.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.702 17.940 38.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.258 17.192 37.803 1.00 0.00 H new ATOM 110 N GLY A 8 -11.852 17.404 30.250 1.00 0.00 N ATOM 111 CA GLY A 8 -12.208 17.493 28.844 1.00 0.00 C ATOM 112 C GLY A 8 -11.218 16.711 27.977 1.00 0.00 C ATOM 113 O GLY A 8 -10.476 17.299 27.192 1.00 0.00 O ATOM 0 H GLY A 8 -11.131 16.715 30.465 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.215 17.103 28.695 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.222 18.538 28.534 1.00 0.00 H new ATOM 117 N PRO A 9 -11.239 15.363 28.154 1.00 0.00 N ATOM 118 CA PRO A 9 -10.352 14.495 27.398 1.00 0.00 C ATOM 119 C PRO A 9 -10.831 14.348 25.952 1.00 0.00 C ATOM 120 O PRO A 9 -11.945 13.888 25.708 1.00 0.00 O ATOM 121 CB PRO A 9 -10.346 13.179 28.159 1.00 0.00 C ATOM 122 CG PRO A 9 -11.581 13.205 29.045 1.00 0.00 C ATOM 123 CD PRO A 9 -12.104 14.632 29.075 1.00 0.00 C ATOM 0 HA PRO A 9 -9.342 14.895 27.315 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.374 12.332 27.474 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.439 13.077 28.755 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.342 12.528 28.658 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.336 12.867 30.052 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.147 14.678 28.760 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.056 15.050 30.080 1.00 0.00 H new ATOM 131 N TRP A 10 -9.964 14.746 25.032 1.00 0.00 N ATOM 132 CA TRP A 10 -10.285 14.664 23.618 1.00 0.00 C ATOM 133 C TRP A 10 -10.150 13.202 23.186 1.00 0.00 C ATOM 134 O TRP A 10 -9.655 12.371 23.945 1.00 0.00 O ATOM 135 CB TRP A 10 -9.404 15.612 22.800 1.00 0.00 C ATOM 136 CG TRP A 10 -9.533 17.082 23.202 1.00 0.00 C ATOM 137 CD1 TRP A 10 -9.502 17.607 24.435 1.00 0.00 C ATOM 138 CD2 TRP A 10 -9.715 18.204 22.312 1.00 0.00 C ATOM 139 NE1 TRP A 10 -9.650 18.978 24.405 1.00 0.00 N ATOM 140 CE2 TRP A 10 -9.784 19.353 23.073 1.00 0.00 C ATOM 141 CE3 TRP A 10 -9.817 18.246 20.911 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -9.958 20.628 22.522 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -9.991 19.528 20.375 1.00 0.00 C ATOM 144 CH2 TRP A 10 -10.063 20.695 21.128 1.00 0.00 C ATOM 0 H TRP A 10 -9.040 15.126 25.239 1.00 0.00 H new ATOM 0 HA TRP A 10 -11.310 14.988 23.436 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -8.363 15.307 22.906 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -9.660 15.510 21.745 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.377 17.029 25.339 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -9.659 19.602 25.212 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -9.765 17.360 20.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.009 21.513 23.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -10.075 19.617 19.302 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -10.199 21.648 20.639 1.00 0.00 H new ATOM 155 N THR A 11 -10.600 12.934 21.969 1.00 0.00 N ATOM 156 CA THR A 11 -10.536 11.587 21.428 1.00 0.00 C ATOM 157 C THR A 11 -10.442 11.630 19.902 1.00 0.00 C ATOM 158 O THR A 11 -10.119 12.667 19.325 1.00 0.00 O ATOM 159 CB THR A 11 -11.753 10.814 21.940 1.00 0.00 C ATOM 160 OG1 THR A 11 -12.844 11.350 21.197 1.00 0.00 O ATOM 161 CG2 THR A 11 -12.091 11.150 23.394 1.00 0.00 C ATOM 0 H THR A 11 -11.010 13.626 21.342 1.00 0.00 H new ATOM 0 HA THR A 11 -9.638 11.068 21.763 1.00 0.00 H new ATOM 0 HB THR A 11 -11.567 9.744 21.849 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.674 10.903 21.465 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.962 10.575 23.707 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.243 10.901 24.032 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.309 12.214 23.480 1.00 0.00 H new ATOM 169 N LYS A 12 -10.730 10.490 19.291 1.00 0.00 N ATOM 170 CA LYS A 12 -10.682 10.383 17.843 1.00 0.00 C ATOM 171 C LYS A 12 -11.674 11.374 17.230 1.00 0.00 C ATOM 172 O LYS A 12 -11.441 11.898 16.142 1.00 0.00 O ATOM 173 CB LYS A 12 -10.908 8.935 17.403 1.00 0.00 C ATOM 174 CG LYS A 12 -11.134 8.849 15.893 1.00 0.00 C ATOM 175 CD LYS A 12 -12.604 8.570 15.574 1.00 0.00 C ATOM 176 CE LYS A 12 -12.783 8.184 14.104 1.00 0.00 C ATOM 177 NZ LYS A 12 -14.220 8.130 13.754 1.00 0.00 N ATOM 0 H LYS A 12 -10.998 9.632 19.773 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.692 10.652 17.474 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.046 8.328 17.680 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.770 8.522 17.927 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.827 9.783 15.422 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.511 8.060 15.473 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.972 7.766 16.212 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.202 9.453 15.797 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.274 8.908 13.467 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.320 7.215 13.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.324 7.867 12.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.696 7.422 14.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.651 9.063 13.913 1.00 0.00 H new ATOM 191 N GLU A 13 -12.760 11.600 17.955 1.00 0.00 N ATOM 192 CA GLU A 13 -13.788 12.518 17.496 1.00 0.00 C ATOM 193 C GLU A 13 -13.165 13.857 17.096 1.00 0.00 C ATOM 194 O GLU A 13 -13.036 14.155 15.910 1.00 0.00 O ATOM 195 CB GLU A 13 -14.865 12.713 18.565 1.00 0.00 C ATOM 196 CG GLU A 13 -16.253 12.830 17.930 1.00 0.00 C ATOM 197 CD GLU A 13 -16.881 14.192 18.234 1.00 0.00 C ATOM 198 OE1 GLU A 13 -17.513 14.298 19.307 1.00 0.00 O ATOM 199 OE2 GLU A 13 -16.716 15.095 17.386 1.00 0.00 O ATOM 0 H GLU A 13 -12.950 11.163 18.857 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.267 12.086 16.618 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.849 11.874 19.260 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.649 13.611 19.144 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.176 12.693 16.851 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.898 12.036 18.307 1.00 0.00 H new ATOM 206 N GLU A 14 -12.794 14.627 18.108 1.00 0.00 N ATOM 207 CA GLU A 14 -12.187 15.927 17.877 1.00 0.00 C ATOM 208 C GLU A 14 -11.024 15.801 16.891 1.00 0.00 C ATOM 209 O GLU A 14 -10.839 16.660 16.031 1.00 0.00 O ATOM 210 CB GLU A 14 -11.727 16.559 19.192 1.00 0.00 C ATOM 211 CG GLU A 14 -12.909 16.784 20.136 1.00 0.00 C ATOM 212 CD GLU A 14 -13.883 17.814 19.559 1.00 0.00 C ATOM 213 OE1 GLU A 14 -13.424 18.622 18.722 1.00 0.00 O ATOM 214 OE2 GLU A 14 -15.063 17.770 19.967 1.00 0.00 O ATOM 0 H GLU A 14 -12.902 14.376 19.091 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.938 16.585 17.440 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.992 15.913 19.672 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.233 17.509 18.989 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.429 15.841 20.305 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.545 17.125 21.105 1.00 0.00 H new ATOM 221 N ASP A 15 -10.269 14.723 17.050 1.00 0.00 N ATOM 222 CA ASP A 15 -9.129 14.474 16.185 1.00 0.00 C ATOM 223 C ASP A 15 -9.620 14.244 14.755 1.00 0.00 C ATOM 224 O ASP A 15 -8.892 14.498 13.796 1.00 0.00 O ATOM 225 CB ASP A 15 -8.363 13.227 16.629 1.00 0.00 C ATOM 226 CG ASP A 15 -7.450 13.425 17.841 1.00 0.00 C ATOM 227 OD1 ASP A 15 -7.958 13.952 18.854 1.00 0.00 O ATOM 228 OD2 ASP A 15 -6.264 13.047 17.726 1.00 0.00 O ATOM 0 H ASP A 15 -10.425 14.013 17.765 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.469 15.340 16.239 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.082 12.441 16.859 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.760 12.873 15.793 1.00 0.00 H new ATOM 233 N GLN A 16 -10.851 13.764 14.656 1.00 0.00 N ATOM 234 CA GLN A 16 -11.448 13.496 13.358 1.00 0.00 C ATOM 235 C GLN A 16 -11.679 14.804 12.600 1.00 0.00 C ATOM 236 O GLN A 16 -11.621 14.833 11.372 1.00 0.00 O ATOM 237 CB GLN A 16 -12.752 12.710 13.507 1.00 0.00 C ATOM 238 CG GLN A 16 -13.951 13.654 13.614 1.00 0.00 C ATOM 239 CD GLN A 16 -14.705 13.735 12.285 1.00 0.00 C ATOM 240 OE1 GLN A 16 -14.701 12.817 11.482 1.00 0.00 O ATOM 241 NE2 GLN A 16 -15.351 14.883 12.099 1.00 0.00 N ATOM 0 H GLN A 16 -11.451 13.554 15.453 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.756 12.882 12.781 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.881 12.047 12.651 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.701 12.079 14.394 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.624 13.306 14.397 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.611 14.648 13.905 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.313 15.611 12.812 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.884 15.035 11.243 1.00 0.00 H new ATOM 250 N LYS A 17 -11.936 15.856 13.364 1.00 0.00 N ATOM 251 CA LYS A 17 -12.177 17.164 12.779 1.00 0.00 C ATOM 252 C LYS A 17 -10.872 17.701 12.187 1.00 0.00 C ATOM 253 O LYS A 17 -10.875 18.308 11.117 1.00 0.00 O ATOM 254 CB LYS A 17 -12.817 18.101 13.806 1.00 0.00 C ATOM 255 CG LYS A 17 -13.477 19.298 13.119 1.00 0.00 C ATOM 256 CD LYS A 17 -13.690 20.448 14.107 1.00 0.00 C ATOM 257 CE LYS A 17 -15.111 21.004 14.002 1.00 0.00 C ATOM 258 NZ LYS A 17 -15.734 21.088 15.342 1.00 0.00 N ATOM 0 H LYS A 17 -11.983 15.829 14.383 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.893 17.089 11.960 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.560 17.556 14.388 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.059 18.452 14.506 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.854 19.636 12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.435 18.996 12.695 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.507 20.098 15.123 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.969 21.241 13.908 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -15.088 21.992 13.542 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -15.711 20.365 13.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -16.698 21.467 15.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.773 20.140 15.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.169 21.716 15.949 1.00 0.00 H new ATOM 272 N VAL A 18 -9.788 17.458 12.908 1.00 0.00 N ATOM 273 CA VAL A 18 -8.479 17.909 12.468 1.00 0.00 C ATOM 274 C VAL A 18 -8.110 17.195 11.166 1.00 0.00 C ATOM 275 O VAL A 18 -7.855 17.841 10.150 1.00 0.00 O ATOM 276 CB VAL A 18 -7.450 17.695 13.579 1.00 0.00 C ATOM 277 CG1 VAL A 18 -6.028 17.673 13.014 1.00 0.00 C ATOM 278 CG2 VAL A 18 -7.590 18.759 14.670 1.00 0.00 C ATOM 0 H VAL A 18 -9.789 16.954 13.795 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.494 18.979 12.260 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.645 16.723 14.032 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.316 17.519 13.825 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.936 16.862 12.292 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.817 18.622 12.522 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.846 18.583 15.447 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.435 19.747 14.237 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.588 18.706 15.104 1.00 0.00 H new ATOM 288 N ILE A 19 -8.093 15.873 11.238 1.00 0.00 N ATOM 289 CA ILE A 19 -7.759 15.064 10.077 1.00 0.00 C ATOM 290 C ILE A 19 -8.584 15.536 8.878 1.00 0.00 C ATOM 291 O ILE A 19 -8.144 15.424 7.735 1.00 0.00 O ATOM 292 CB ILE A 19 -7.928 13.577 10.394 1.00 0.00 C ATOM 293 CG1 ILE A 19 -6.712 13.034 11.146 1.00 0.00 C ATOM 294 CG2 ILE A 19 -8.221 12.776 9.123 1.00 0.00 C ATOM 295 CD1 ILE A 19 -6.188 14.060 12.154 1.00 0.00 C ATOM 0 H ILE A 19 -8.305 15.341 12.082 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.709 15.192 9.812 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.789 13.464 11.052 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.982 12.114 11.665 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.924 12.781 10.436 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.337 11.722 9.376 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.140 13.143 8.666 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.395 12.892 8.421 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.323 13.649 12.675 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.897 14.970 11.629 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.970 14.293 12.876 1.00 0.00 H new ATOM 307 N GLU A 20 -9.766 16.052 9.181 1.00 0.00 N ATOM 308 CA GLU A 20 -10.657 16.541 8.142 1.00 0.00 C ATOM 309 C GLU A 20 -10.175 17.897 7.624 1.00 0.00 C ATOM 310 O GLU A 20 -10.417 18.247 6.470 1.00 0.00 O ATOM 311 CB GLU A 20 -12.097 16.629 8.652 1.00 0.00 C ATOM 312 CG GLU A 20 -13.082 16.781 7.490 1.00 0.00 C ATOM 313 CD GLU A 20 -14.348 17.513 7.937 1.00 0.00 C ATOM 314 OE1 GLU A 20 -14.204 18.666 8.399 1.00 0.00 O ATOM 315 OE2 GLU A 20 -15.432 16.905 7.806 1.00 0.00 O ATOM 0 H GLU A 20 -10.128 16.142 10.131 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.642 15.832 7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.339 15.733 9.224 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.195 17.477 9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.608 17.330 6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.345 15.798 7.100 1.00 0.00 H new ATOM 322 N LEU A 21 -9.502 18.625 8.503 1.00 0.00 N ATOM 323 CA LEU A 21 -8.983 19.935 8.149 1.00 0.00 C ATOM 324 C LEU A 21 -7.826 19.772 7.162 1.00 0.00 C ATOM 325 O LEU A 21 -7.712 20.532 6.202 1.00 0.00 O ATOM 326 CB LEU A 21 -8.612 20.723 9.407 1.00 0.00 C ATOM 327 CG LEU A 21 -9.735 21.548 10.038 1.00 0.00 C ATOM 328 CD1 LEU A 21 -9.787 21.338 11.552 1.00 0.00 C ATOM 329 CD2 LEU A 21 -9.601 23.027 9.669 1.00 0.00 C ATOM 0 H LEU A 21 -9.304 18.332 9.460 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.750 20.524 7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.240 20.022 10.154 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.789 21.394 9.162 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.685 21.199 9.633 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.594 21.936 11.975 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.965 20.284 11.767 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.839 21.644 11.994 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.411 23.592 10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.644 23.406 10.028 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.652 23.138 8.586 1.00 0.00 H new ATOM 341 N VAL A 22 -6.996 18.775 7.433 1.00 0.00 N ATOM 342 CA VAL A 22 -5.851 18.501 6.581 1.00 0.00 C ATOM 343 C VAL A 22 -6.340 17.956 5.237 1.00 0.00 C ATOM 344 O VAL A 22 -5.696 18.160 4.209 1.00 0.00 O ATOM 345 CB VAL A 22 -4.882 17.556 7.293 1.00 0.00 C ATOM 346 CG1 VAL A 22 -3.623 17.328 6.455 1.00 0.00 C ATOM 347 CG2 VAL A 22 -4.527 18.081 8.685 1.00 0.00 C ATOM 0 H VAL A 22 -7.094 18.147 8.231 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.298 19.418 6.378 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.381 16.595 7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.951 16.653 6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.899 16.888 5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.121 18.281 6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.837 17.390 9.169 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.057 19.060 8.596 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.434 18.167 9.284 1.00 0.00 H new ATOM 357 N LYS A 23 -7.474 17.274 5.289 1.00 0.00 N ATOM 358 CA LYS A 23 -8.057 16.697 4.089 1.00 0.00 C ATOM 359 C LYS A 23 -8.610 17.818 3.207 1.00 0.00 C ATOM 360 O LYS A 23 -8.679 17.677 1.987 1.00 0.00 O ATOM 361 CB LYS A 23 -9.093 15.633 4.454 1.00 0.00 C ATOM 362 CG LYS A 23 -8.489 14.230 4.376 1.00 0.00 C ATOM 363 CD LYS A 23 -9.447 13.259 3.681 1.00 0.00 C ATOM 364 CE LYS A 23 -9.629 13.629 2.208 1.00 0.00 C ATOM 365 NZ LYS A 23 -10.290 12.526 1.475 1.00 0.00 N ATOM 0 H LYS A 23 -8.005 17.108 6.144 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.295 16.179 3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.468 15.816 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.946 15.704 3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.545 14.266 3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.265 13.870 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.061 12.243 3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.413 13.272 4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.226 14.537 2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.660 13.843 1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.406 12.793 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.706 11.668 1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.223 12.341 1.895 1.00 0.00 H new ATOM 379 N LYS A 24 -8.991 18.907 3.859 1.00 0.00 N ATOM 380 CA LYS A 24 -9.536 20.052 3.149 1.00 0.00 C ATOM 381 C LYS A 24 -8.426 21.078 2.915 1.00 0.00 C ATOM 382 O LYS A 24 -8.484 21.856 1.964 1.00 0.00 O ATOM 383 CB LYS A 24 -10.748 20.616 3.894 1.00 0.00 C ATOM 384 CG LYS A 24 -11.682 21.360 2.937 1.00 0.00 C ATOM 385 CD LYS A 24 -12.016 22.755 3.471 1.00 0.00 C ATOM 386 CE LYS A 24 -10.889 23.744 3.166 1.00 0.00 C ATOM 387 NZ LYS A 24 -10.583 23.749 1.718 1.00 0.00 N ATOM 0 H LYS A 24 -8.933 19.021 4.871 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.904 19.752 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.290 19.805 4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.414 21.292 4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.212 21.445 1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.600 20.789 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.945 23.107 3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.180 22.706 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.179 24.745 3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.997 23.474 3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.321 24.711 1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.792 23.101 1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.421 23.439 1.185 1.00 0.00 H new ATOM 401 N TYR A 25 -7.440 21.047 3.800 1.00 0.00 N ATOM 402 CA TYR A 25 -6.317 21.965 3.701 1.00 0.00 C ATOM 403 C TYR A 25 -5.227 21.402 2.788 1.00 0.00 C ATOM 404 O TYR A 25 -4.830 22.047 1.818 1.00 0.00 O ATOM 405 CB TYR A 25 -5.758 22.101 5.119 1.00 0.00 C ATOM 406 CG TYR A 25 -6.567 23.037 6.020 1.00 0.00 C ATOM 407 CD1 TYR A 25 -7.902 23.264 5.757 1.00 0.00 C ATOM 408 CD2 TYR A 25 -5.960 23.654 7.095 1.00 0.00 C ATOM 409 CE1 TYR A 25 -8.663 24.145 6.605 1.00 0.00 C ATOM 410 CE2 TYR A 25 -6.721 24.535 7.943 1.00 0.00 C ATOM 411 CZ TYR A 25 -8.035 24.737 7.656 1.00 0.00 C ATOM 412 OH TYR A 25 -8.754 25.568 8.457 1.00 0.00 O ATOM 0 H TYR A 25 -7.395 20.401 4.588 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.637 22.920 3.284 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.719 21.114 5.579 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.733 22.466 5.061 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.376 22.781 4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.915 23.476 7.300 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.709 24.331 6.411 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.259 25.024 8.788 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.177 25.918 9.167 1.00 0.00 H new ATOM 422 N GLY A 26 -4.773 20.205 3.129 1.00 0.00 N ATOM 423 CA GLY A 26 -3.736 19.548 2.352 1.00 0.00 C ATOM 424 C GLY A 26 -2.831 20.574 1.668 1.00 0.00 C ATOM 425 O GLY A 26 -3.199 21.147 0.643 1.00 0.00 O ATOM 0 H GLY A 26 -5.105 19.673 3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.140 18.908 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.193 18.903 1.601 1.00 0.00 H new ATOM 429 N THR A 27 -1.663 20.774 2.261 1.00 0.00 N ATOM 430 CA THR A 27 -0.702 21.721 1.722 1.00 0.00 C ATOM 431 C THR A 27 0.531 21.803 2.624 1.00 0.00 C ATOM 432 O THR A 27 1.624 21.407 2.224 1.00 0.00 O ATOM 433 CB THR A 27 -1.412 23.064 1.541 1.00 0.00 C ATOM 434 OG1 THR A 27 -0.362 24.025 1.611 1.00 0.00 O ATOM 435 CG2 THR A 27 -2.316 23.413 2.725 1.00 0.00 C ATOM 0 H THR A 27 -1.361 20.296 3.110 1.00 0.00 H new ATOM 0 HA THR A 27 -0.333 21.398 0.749 1.00 0.00 H new ATOM 0 HB THR A 27 -2.005 23.040 0.627 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.734 24.925 1.501 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.796 24.375 2.545 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.079 22.643 2.840 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.718 23.470 3.635 1.00 0.00 H new ATOM 443 N LYS A 28 0.312 22.318 3.825 1.00 0.00 N ATOM 444 CA LYS A 28 1.392 22.456 4.787 1.00 0.00 C ATOM 445 C LYS A 28 0.853 23.107 6.062 1.00 0.00 C ATOM 446 O LYS A 28 1.536 23.918 6.687 1.00 0.00 O ATOM 447 CB LYS A 28 2.572 23.206 4.165 1.00 0.00 C ATOM 448 CG LYS A 28 3.896 22.756 4.785 1.00 0.00 C ATOM 449 CD LYS A 28 4.446 21.522 4.067 1.00 0.00 C ATOM 450 CE LYS A 28 5.401 20.741 4.972 1.00 0.00 C ATOM 451 NZ LYS A 28 5.698 19.414 4.389 1.00 0.00 N ATOM 0 H LYS A 28 -0.597 22.645 4.154 1.00 0.00 H new ATOM 0 HA LYS A 28 1.779 21.477 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.592 23.031 3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.444 24.278 4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.622 23.567 4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.749 22.531 5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.622 20.878 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.967 21.827 3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.326 21.302 5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.957 20.620 5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.347 18.897 5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.815 18.875 4.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.141 19.536 3.456 1.00 0.00 H new ATOM 465 N GLN A 29 -0.368 22.729 6.411 1.00 0.00 N ATOM 466 CA GLN A 29 -1.007 23.266 7.601 1.00 0.00 C ATOM 467 C GLN A 29 -1.150 22.176 8.664 1.00 0.00 C ATOM 468 O GLN A 29 -2.144 21.452 8.687 1.00 0.00 O ATOM 469 CB GLN A 29 -2.365 23.883 7.262 1.00 0.00 C ATOM 470 CG GLN A 29 -2.207 25.061 6.299 1.00 0.00 C ATOM 471 CD GLN A 29 -3.565 25.681 5.963 1.00 0.00 C ATOM 472 OE1 GLN A 29 -4.219 25.058 4.987 1.00 0.00 O flip ATOM 473 NE2 GLN A 29 -3.992 26.661 6.552 1.00 0.00 N flip ATOM 0 H GLN A 29 -0.932 22.057 5.891 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.375 24.058 8.004 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.010 23.127 6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.854 24.219 8.176 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.559 25.816 6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.721 24.724 5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.439 27.092 7.293 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.902 27.049 6.304 1.00 0.00 H new ATOM 482 N TRP A 30 -0.142 22.093 9.520 1.00 0.00 N ATOM 483 CA TRP A 30 -0.143 21.103 10.584 1.00 0.00 C ATOM 484 C TRP A 30 -0.332 21.838 11.913 1.00 0.00 C ATOM 485 O TRP A 30 -0.596 21.213 12.939 1.00 0.00 O ATOM 486 CB TRP A 30 1.130 20.256 10.546 1.00 0.00 C ATOM 487 CG TRP A 30 1.047 19.050 9.608 1.00 0.00 C ATOM 488 CD1 TRP A 30 1.532 18.937 8.364 1.00 0.00 C ATOM 489 CD2 TRP A 30 0.418 17.782 9.891 1.00 0.00 C ATOM 490 NE1 TRP A 30 1.263 17.695 7.826 1.00 0.00 N ATOM 491 CE2 TRP A 30 0.564 16.970 8.785 1.00 0.00 C ATOM 492 CE3 TRP A 30 -0.252 17.336 11.044 1.00 0.00 C ATOM 493 CZ2 TRP A 30 0.067 15.663 8.722 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -0.743 16.027 10.966 1.00 0.00 C ATOM 495 CH2 TRP A 30 -0.604 15.197 9.859 1.00 0.00 C ATOM 0 H TRP A 30 0.681 22.695 9.498 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.965 20.399 10.455 1.00 0.00 H new ATOM 0 HB2 TRP A 30 1.964 20.886 10.238 1.00 0.00 H new ATOM 0 HB3 TRP A 30 1.351 19.905 11.554 1.00 0.00 H new ATOM 0 HD1 TRP A 30 2.067 19.720 7.847 1.00 0.00 H new ATOM 0 HE1 TRP A 30 1.528 17.369 6.897 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.378 17.954 11.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 0.194 15.047 7.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -1.266 15.635 11.826 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.012 14.197 9.876 1.00 0.00 H new ATOM 506 N THR A 31 -0.189 23.153 11.851 1.00 0.00 N ATOM 507 CA THR A 31 -0.341 23.980 13.036 1.00 0.00 C ATOM 508 C THR A 31 -1.804 24.007 13.483 1.00 0.00 C ATOM 509 O THR A 31 -2.097 23.876 14.671 1.00 0.00 O ATOM 510 CB THR A 31 0.224 25.366 12.722 1.00 0.00 C ATOM 511 OG1 THR A 31 1.261 25.544 13.684 1.00 0.00 O ATOM 512 CG2 THR A 31 -0.769 26.488 13.033 1.00 0.00 C ATOM 0 H THR A 31 0.031 23.667 10.998 1.00 0.00 H new ATOM 0 HA THR A 31 0.216 23.570 13.878 1.00 0.00 H new ATOM 0 HB THR A 31 0.506 25.413 11.670 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.683 26.418 13.552 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.318 27.450 12.792 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.671 26.351 12.437 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.026 26.463 14.092 1.00 0.00 H new ATOM 520 N LEU A 32 -2.685 24.178 12.508 1.00 0.00 N ATOM 521 CA LEU A 32 -4.110 24.225 12.786 1.00 0.00 C ATOM 522 C LEU A 32 -4.516 22.968 13.558 1.00 0.00 C ATOM 523 O LEU A 32 -5.567 22.939 14.196 1.00 0.00 O ATOM 524 CB LEU A 32 -4.901 24.435 11.494 1.00 0.00 C ATOM 525 CG LEU A 32 -5.371 23.166 10.780 1.00 0.00 C ATOM 526 CD1 LEU A 32 -4.181 22.301 10.360 1.00 0.00 C ATOM 527 CD2 LEU A 32 -6.368 22.389 11.643 1.00 0.00 C ATOM 0 H LEU A 32 -2.439 24.286 11.524 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.347 25.080 13.420 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.775 25.044 11.722 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.284 25.009 10.803 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.893 23.460 9.869 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.543 21.405 9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.541 22.867 9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.610 22.014 11.243 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.686 21.492 11.112 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.893 22.106 12.582 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.236 23.015 11.850 1.00 0.00 H new ATOM 539 N ILE A 33 -3.661 21.959 13.474 1.00 0.00 N ATOM 540 CA ILE A 33 -3.918 20.702 14.156 1.00 0.00 C ATOM 541 C ILE A 33 -3.882 20.931 15.669 1.00 0.00 C ATOM 542 O ILE A 33 -4.880 20.720 16.356 1.00 0.00 O ATOM 543 CB ILE A 33 -2.946 19.623 13.675 1.00 0.00 C ATOM 544 CG1 ILE A 33 -2.803 19.653 12.152 1.00 0.00 C ATOM 545 CG2 ILE A 33 -3.364 18.242 14.184 1.00 0.00 C ATOM 546 CD1 ILE A 33 -4.157 19.444 11.470 1.00 0.00 C ATOM 0 H ILE A 33 -2.790 21.987 12.944 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.914 20.333 13.912 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.963 19.837 14.095 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.379 20.608 11.842 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.107 18.877 11.833 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.656 17.493 13.828 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.373 18.243 15.274 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.361 18.004 13.813 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.027 19.470 10.388 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.567 18.478 11.763 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.843 20.236 11.772 1.00 0.00 H new ATOM 558 N ALA A 34 -2.722 21.361 16.143 1.00 0.00 N ATOM 559 CA ALA A 34 -2.543 21.621 17.561 1.00 0.00 C ATOM 560 C ALA A 34 -3.291 22.902 17.938 1.00 0.00 C ATOM 561 O ALA A 34 -3.762 23.040 19.066 1.00 0.00 O ATOM 562 CB ALA A 34 -1.049 21.702 17.881 1.00 0.00 C ATOM 0 H ALA A 34 -1.897 21.536 15.570 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.960 20.808 18.156 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.915 21.897 18.945 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.570 20.758 17.622 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.597 22.509 17.304 1.00 0.00 H new ATOM 568 N LYS A 35 -3.375 23.806 16.973 1.00 0.00 N ATOM 569 CA LYS A 35 -4.057 25.070 17.190 1.00 0.00 C ATOM 570 C LYS A 35 -5.551 24.810 17.399 1.00 0.00 C ATOM 571 O LYS A 35 -6.230 25.579 18.077 1.00 0.00 O ATOM 572 CB LYS A 35 -3.757 26.044 16.049 1.00 0.00 C ATOM 573 CG LYS A 35 -3.752 27.490 16.548 1.00 0.00 C ATOM 574 CD LYS A 35 -5.153 28.100 16.472 1.00 0.00 C ATOM 575 CE LYS A 35 -5.178 29.300 15.522 1.00 0.00 C ATOM 576 NZ LYS A 35 -4.866 30.547 16.255 1.00 0.00 N ATOM 0 H LYS A 35 -2.982 23.688 16.039 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.687 25.551 18.095 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.790 25.805 15.607 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.503 25.930 15.263 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.392 27.522 17.576 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.060 28.083 15.950 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.863 27.347 16.131 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.472 28.412 17.466 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.455 29.152 14.720 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.160 29.381 15.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.887 31.351 15.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.572 30.695 17.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.920 30.472 16.680 1.00 0.00 H new ATOM 590 N HIS A 36 -6.018 23.722 16.803 1.00 0.00 N ATOM 591 CA HIS A 36 -7.418 23.351 16.916 1.00 0.00 C ATOM 592 C HIS A 36 -7.639 22.567 18.211 1.00 0.00 C ATOM 593 O HIS A 36 -8.505 22.916 19.012 1.00 0.00 O ATOM 594 CB HIS A 36 -7.878 22.585 15.674 1.00 0.00 C ATOM 595 CG HIS A 36 -8.054 23.450 14.448 1.00 0.00 C ATOM 596 ND1 HIS A 36 -9.078 23.260 13.537 1.00 0.00 N ATOM 597 CD2 HIS A 36 -7.327 24.511 13.995 1.00 0.00 C ATOM 598 CE1 HIS A 36 -8.962 24.171 12.582 1.00 0.00 C ATOM 599 NE2 HIS A 36 -7.876 24.945 12.867 1.00 0.00 N ATOM 0 H HIS A 36 -5.452 23.086 16.241 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.033 24.250 16.967 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.152 21.803 15.453 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -8.823 22.089 15.895 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.453 24.928 14.473 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.613 24.281 11.728 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.541 25.728 12.306 1.00 0.00 H new ATOM 607 N LEU A 37 -6.841 21.523 18.376 1.00 0.00 N ATOM 608 CA LEU A 37 -6.938 20.687 19.561 1.00 0.00 C ATOM 609 C LEU A 37 -5.743 20.964 20.475 1.00 0.00 C ATOM 610 O LEU A 37 -4.668 20.399 20.285 1.00 0.00 O ATOM 611 CB LEU A 37 -7.084 19.215 19.168 1.00 0.00 C ATOM 612 CG LEU A 37 -7.503 18.946 17.721 1.00 0.00 C ATOM 613 CD1 LEU A 37 -7.674 17.446 17.470 1.00 0.00 C ATOM 614 CD2 LEU A 37 -8.762 19.735 17.359 1.00 0.00 C ATOM 0 H LEU A 37 -6.124 21.236 17.709 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.836 20.932 20.128 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.132 18.715 19.349 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.817 18.754 19.830 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.706 19.294 17.064 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.972 17.282 16.434 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.730 16.935 17.661 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.442 17.051 18.135 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.038 19.526 16.326 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.578 19.441 18.019 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.569 20.802 17.474 1.00 0.00 H new ATOM 626 N LYS A 38 -5.972 21.834 21.448 1.00 0.00 N ATOM 627 CA LYS A 38 -4.928 22.193 22.392 1.00 0.00 C ATOM 628 C LYS A 38 -4.881 21.153 23.513 1.00 0.00 C ATOM 629 O LYS A 38 -5.359 20.032 23.345 1.00 0.00 O ATOM 630 CB LYS A 38 -5.126 23.626 22.890 1.00 0.00 C ATOM 631 CG LYS A 38 -5.482 24.564 21.735 1.00 0.00 C ATOM 632 CD LYS A 38 -4.245 24.896 20.898 1.00 0.00 C ATOM 633 CE LYS A 38 -3.616 26.216 21.348 1.00 0.00 C ATOM 634 NZ LYS A 38 -2.206 26.009 21.747 1.00 0.00 N ATOM 0 H LYS A 38 -6.866 22.301 21.603 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.953 22.181 21.905 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.918 23.648 23.639 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.216 23.974 23.378 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.239 24.098 21.104 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.917 25.483 22.129 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.515 24.092 20.988 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.520 24.961 19.845 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.668 26.945 20.539 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.180 26.628 22.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.794 26.915 22.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.164 25.330 22.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.668 25.637 20.939 1.00 0.00 H new ATOM 648 N GLY A 39 -4.300 21.562 24.632 1.00 0.00 N ATOM 649 CA GLY A 39 -4.184 20.679 25.780 1.00 0.00 C ATOM 650 C GLY A 39 -3.017 19.705 25.607 1.00 0.00 C ATOM 651 O GLY A 39 -2.117 19.653 26.444 1.00 0.00 O ATOM 0 H GLY A 39 -3.905 22.493 24.768 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.038 21.270 26.684 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.112 20.121 25.910 1.00 0.00 H new ATOM 655 N ARG A 40 -3.070 18.956 24.515 1.00 0.00 N ATOM 656 CA ARG A 40 -2.028 17.986 24.222 1.00 0.00 C ATOM 657 C ARG A 40 -1.207 18.439 23.013 1.00 0.00 C ATOM 658 O ARG A 40 -1.612 19.345 22.286 1.00 0.00 O ATOM 659 CB ARG A 40 -2.625 16.607 23.936 1.00 0.00 C ATOM 660 CG ARG A 40 -2.690 15.762 25.210 1.00 0.00 C ATOM 661 CD ARG A 40 -3.853 16.203 26.102 1.00 0.00 C ATOM 662 NE ARG A 40 -5.120 15.626 25.601 1.00 0.00 N ATOM 663 CZ ARG A 40 -5.472 14.342 25.751 1.00 0.00 C ATOM 664 NH1 ARG A 40 -4.653 13.493 26.388 1.00 0.00 N ATOM 665 NH2 ARG A 40 -6.642 13.906 25.265 1.00 0.00 N ATOM 0 H ARG A 40 -3.818 19.001 23.823 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.383 17.916 25.098 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.626 16.720 23.519 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.023 16.095 23.186 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.807 14.710 24.948 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.752 15.852 25.758 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.678 15.881 27.128 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.919 17.291 26.116 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.766 16.245 25.111 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.762 13.825 26.758 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.921 12.515 26.502 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.265 14.552 24.780 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.909 12.928 25.380 1.00 0.00 H new ATOM 679 N LEU A 41 -0.066 17.788 22.836 1.00 0.00 N ATOM 680 CA LEU A 41 0.816 18.113 21.728 1.00 0.00 C ATOM 681 C LEU A 41 0.167 17.665 20.417 1.00 0.00 C ATOM 682 O LEU A 41 -0.058 16.474 20.206 1.00 0.00 O ATOM 683 CB LEU A 41 2.207 17.519 21.959 1.00 0.00 C ATOM 684 CG LEU A 41 3.212 18.425 22.674 1.00 0.00 C ATOM 685 CD1 LEU A 41 3.728 19.519 21.737 1.00 0.00 C ATOM 686 CD2 LEU A 41 2.613 19.004 23.957 1.00 0.00 C ATOM 0 H LEU A 41 0.267 17.038 23.441 1.00 0.00 H new ATOM 0 HA LEU A 41 0.962 19.191 21.661 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.097 16.602 22.539 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.625 17.237 20.993 1.00 0.00 H new ATOM 0 HG LEU A 41 4.070 17.820 22.965 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.440 20.149 22.270 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.220 19.061 20.879 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.892 20.128 21.393 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.348 19.644 24.445 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.727 19.590 23.713 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.337 18.191 24.629 1.00 0.00 H new ATOM 698 N GLY A 42 -0.116 18.644 19.569 1.00 0.00 N ATOM 699 CA GLY A 42 -0.735 18.366 18.285 1.00 0.00 C ATOM 700 C GLY A 42 0.108 17.381 17.472 1.00 0.00 C ATOM 701 O GLY A 42 -0.412 16.686 16.600 1.00 0.00 O ATOM 0 H GLY A 42 0.072 19.631 19.747 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.733 17.955 18.440 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.856 19.294 17.727 1.00 0.00 H new ATOM 705 N LYS A 43 1.394 17.351 17.787 1.00 0.00 N ATOM 706 CA LYS A 43 2.314 16.462 17.097 1.00 0.00 C ATOM 707 C LYS A 43 1.897 15.012 17.346 1.00 0.00 C ATOM 708 O LYS A 43 0.725 14.733 17.596 1.00 0.00 O ATOM 709 CB LYS A 43 3.757 16.766 17.502 1.00 0.00 C ATOM 710 CG LYS A 43 4.672 16.814 16.277 1.00 0.00 C ATOM 711 CD LYS A 43 6.059 16.256 16.605 1.00 0.00 C ATOM 712 CE LYS A 43 6.614 15.442 15.435 1.00 0.00 C ATOM 713 NZ LYS A 43 6.455 13.993 15.690 1.00 0.00 N ATOM 0 H LYS A 43 1.821 17.928 18.511 1.00 0.00 H new ATOM 0 HA LYS A 43 2.269 16.626 16.020 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.798 17.720 18.028 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.112 16.004 18.196 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.228 16.239 15.464 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.763 17.842 15.927 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.739 17.076 16.837 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.001 15.628 17.494 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.095 15.715 14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.668 15.678 15.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.837 13.455 14.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.970 13.734 16.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.446 13.770 15.808 1.00 0.00 H new ATOM 727 N GLN A 44 2.879 14.126 17.269 1.00 0.00 N ATOM 728 CA GLN A 44 2.629 12.710 17.483 1.00 0.00 C ATOM 729 C GLN A 44 1.318 12.296 16.811 1.00 0.00 C ATOM 730 O GLN A 44 0.628 11.398 17.291 1.00 0.00 O ATOM 731 CB GLN A 44 2.610 12.376 18.975 1.00 0.00 C ATOM 732 CG GLN A 44 3.624 11.279 19.305 1.00 0.00 C ATOM 733 CD GLN A 44 3.027 10.254 20.272 1.00 0.00 C ATOM 734 OE1 GLN A 44 2.508 10.585 21.325 1.00 0.00 O ATOM 735 NE2 GLN A 44 3.131 8.994 19.857 1.00 0.00 N ATOM 0 H GLN A 44 3.850 14.361 17.061 1.00 0.00 H new ATOM 0 HA GLN A 44 3.442 12.144 17.029 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.836 13.271 19.554 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.611 12.052 19.266 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.937 10.780 18.388 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.516 11.724 19.746 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.578 8.786 18.964 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.764 8.236 20.432 1.00 0.00 H new ATOM 744 N CYS A 45 1.015 12.969 15.711 1.00 0.00 N ATOM 745 CA CYS A 45 -0.200 12.682 14.969 1.00 0.00 C ATOM 746 C CYS A 45 0.192 12.219 13.564 1.00 0.00 C ATOM 747 O CYS A 45 -0.337 11.229 13.062 1.00 0.00 O ATOM 748 CB CYS A 45 -1.139 13.890 14.930 1.00 0.00 C ATOM 749 SG CYS A 45 -0.280 15.326 14.190 1.00 0.00 S ATOM 0 H CYS A 45 1.590 13.713 15.316 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.755 11.889 15.470 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.030 13.650 14.350 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.472 14.135 15.939 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.142 16.258 15.086 1.00 0.00 H new ATOM 755 N ARG A 46 1.118 12.958 12.970 1.00 0.00 N ATOM 756 CA ARG A 46 1.588 12.636 11.633 1.00 0.00 C ATOM 757 C ARG A 46 1.734 11.122 11.472 1.00 0.00 C ATOM 758 O ARG A 46 1.170 10.535 10.550 1.00 0.00 O ATOM 759 CB ARG A 46 2.934 13.305 11.346 1.00 0.00 C ATOM 760 CG ARG A 46 2.743 14.767 10.936 1.00 0.00 C ATOM 761 CD ARG A 46 3.612 15.693 11.790 1.00 0.00 C ATOM 762 NE ARG A 46 4.700 16.267 10.968 1.00 0.00 N ATOM 763 CZ ARG A 46 5.832 15.619 10.661 1.00 0.00 C ATOM 764 NH1 ARG A 46 6.031 14.371 11.107 1.00 0.00 N ATOM 765 NH2 ARG A 46 6.765 16.218 9.909 1.00 0.00 N ATOM 0 H ARG A 46 1.555 13.778 13.390 1.00 0.00 H new ATOM 0 HA ARG A 46 0.850 13.011 10.923 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.567 13.252 12.232 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.451 12.765 10.552 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.999 14.890 9.884 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.694 15.045 11.043 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.002 16.493 12.210 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.033 15.139 12.629 1.00 0.00 H new ATOM 0 HE ARG A 46 4.581 17.216 10.613 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.321 13.915 11.680 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.892 13.877 10.874 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.614 17.168 9.570 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.626 15.724 9.676 1.00 0.00 H new ATOM 779 N GLU A 47 2.494 10.533 12.384 1.00 0.00 N ATOM 780 CA GLU A 47 2.721 9.098 12.354 1.00 0.00 C ATOM 781 C GLU A 47 1.399 8.347 12.526 1.00 0.00 C ATOM 782 O GLU A 47 1.030 7.977 13.639 1.00 0.00 O ATOM 783 CB GLU A 47 3.731 8.681 13.426 1.00 0.00 C ATOM 784 CG GLU A 47 4.518 7.445 12.986 1.00 0.00 C ATOM 785 CD GLU A 47 4.531 6.382 14.087 1.00 0.00 C ATOM 786 OE1 GLU A 47 4.866 6.756 15.231 1.00 0.00 O ATOM 787 OE2 GLU A 47 4.205 5.221 13.759 1.00 0.00 O ATOM 0 H GLU A 47 2.960 11.023 13.148 1.00 0.00 H new ATOM 0 HA GLU A 47 3.141 8.837 11.383 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.419 9.504 13.623 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.210 8.471 14.360 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.075 7.030 12.081 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.541 7.730 12.738 1.00 0.00 H new ATOM 794 N ARG A 48 0.721 8.145 11.405 1.00 0.00 N ATOM 795 CA ARG A 48 -0.553 7.445 11.417 1.00 0.00 C ATOM 796 C ARG A 48 -1.287 7.656 10.091 1.00 0.00 C ATOM 797 O ARG A 48 -2.155 6.865 9.726 1.00 0.00 O ATOM 798 CB ARG A 48 -1.439 7.933 12.566 1.00 0.00 C ATOM 799 CG ARG A 48 -1.771 6.790 13.526 1.00 0.00 C ATOM 800 CD ARG A 48 -3.246 6.397 13.421 1.00 0.00 C ATOM 801 NE ARG A 48 -3.555 5.953 12.043 1.00 0.00 N ATOM 802 CZ ARG A 48 -4.787 5.938 11.517 1.00 0.00 C ATOM 803 NH1 ARG A 48 -5.834 6.341 12.251 1.00 0.00 N ATOM 804 NH2 ARG A 48 -4.973 5.518 10.258 1.00 0.00 N ATOM 0 H ARG A 48 1.030 8.454 10.483 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.347 6.384 11.557 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.932 8.731 13.107 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.361 8.355 12.165 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.144 5.927 13.301 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.543 7.091 14.548 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.469 5.598 14.128 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.877 7.245 13.689 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.781 5.639 11.457 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.692 6.659 13.210 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.772 6.330 11.851 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.177 5.210 9.700 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.911 5.507 9.858 1.00 0.00 H new ATOM 818 N TRP A 49 -0.911 8.726 9.407 1.00 0.00 N ATOM 819 CA TRP A 49 -1.522 9.051 8.130 1.00 0.00 C ATOM 820 C TRP A 49 -0.527 9.892 7.329 1.00 0.00 C ATOM 821 O TRP A 49 -0.406 9.730 6.116 1.00 0.00 O ATOM 822 CB TRP A 49 -2.870 9.747 8.328 1.00 0.00 C ATOM 823 CG TRP A 49 -2.805 10.983 9.227 1.00 0.00 C ATOM 824 CD1 TRP A 49 -2.106 11.145 10.359 1.00 0.00 C ATOM 825 CD2 TRP A 49 -3.498 12.233 9.021 1.00 0.00 C ATOM 826 NE1 TRP A 49 -2.297 12.402 10.896 1.00 0.00 N ATOM 827 CE2 TRP A 49 -3.170 13.084 10.057 1.00 0.00 C ATOM 828 CE3 TRP A 49 -4.372 12.631 7.995 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -3.671 14.387 10.166 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -4.865 13.935 8.119 1.00 0.00 C ATOM 831 CH2 TRP A 49 -4.545 14.805 9.155 1.00 0.00 C ATOM 0 H TRP A 49 -0.190 9.379 9.713 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.743 8.144 7.567 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.263 10.039 7.354 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.576 9.035 8.757 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.473 10.387 10.796 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -1.875 12.764 11.751 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.642 11.982 7.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.398 15.035 10.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.542 14.290 7.356 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.968 15.798 9.180 1.00 0.00 H new ATOM 842 N HIS A 50 0.162 10.773 8.041 1.00 0.00 N ATOM 843 CA HIS A 50 1.143 11.640 7.411 1.00 0.00 C ATOM 844 C HIS A 50 2.260 10.792 6.799 1.00 0.00 C ATOM 845 O HIS A 50 2.752 11.096 5.714 1.00 0.00 O ATOM 846 CB HIS A 50 1.665 12.680 8.404 1.00 0.00 C ATOM 847 CG HIS A 50 2.830 13.492 7.889 1.00 0.00 C ATOM 848 ND1 HIS A 50 4.089 12.953 7.690 1.00 0.00 N ATOM 849 CD2 HIS A 50 2.912 14.806 7.533 1.00 0.00 C ATOM 850 CE1 HIS A 50 4.886 13.909 7.236 1.00 0.00 C ATOM 851 NE2 HIS A 50 4.154 15.057 7.139 1.00 0.00 N ATOM 0 H HIS A 50 0.060 10.905 9.047 1.00 0.00 H new ATOM 0 HA HIS A 50 0.673 12.199 6.601 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.852 13.357 8.666 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.966 12.173 9.321 1.00 0.00 H new ATOM 0 HD1 HIS A 50 4.358 11.984 7.863 1.00 0.00 H new ATOM 0 HD2 HIS A 50 2.103 15.521 7.566 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.931 13.799 6.987 1.00 0.00 H new ATOM 859 N ASN A 51 2.629 9.745 7.523 1.00 0.00 N ATOM 860 CA ASN A 51 3.678 8.851 7.065 1.00 0.00 C ATOM 861 C ASN A 51 3.060 7.512 6.657 1.00 0.00 C ATOM 862 O ASN A 51 3.605 6.805 5.811 1.00 0.00 O ATOM 863 CB ASN A 51 4.696 8.582 8.175 1.00 0.00 C ATOM 864 CG ASN A 51 5.290 9.890 8.703 1.00 0.00 C ATOM 865 OD1 ASN A 51 4.420 10.653 9.358 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 6.460 10.185 8.528 1.00 0.00 N flip ATOM 0 H ASN A 51 2.220 9.496 8.424 1.00 0.00 H new ATOM 0 HA ASN A 51 4.180 9.325 6.222 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.216 8.041 8.990 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.494 7.943 7.795 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.074 9.552 8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.825 11.064 8.894 1.00 0.00 H new ATOM 1023 N SER A 61 11.936 3.606 -9.753 1.00 0.00 N ATOM 1024 CA SER A 61 12.871 2.499 -9.856 1.00 0.00 C ATOM 1025 C SER A 61 12.125 1.170 -9.720 1.00 0.00 C ATOM 1026 O SER A 61 10.980 1.049 -10.153 1.00 0.00 O ATOM 1027 CB SER A 61 13.968 2.603 -8.795 1.00 0.00 C ATOM 1028 OG SER A 61 13.504 2.204 -7.508 1.00 0.00 O ATOM 0 HA SER A 61 13.346 2.543 -10.836 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.814 1.979 -9.085 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.331 3.630 -8.748 1.00 0.00 H new ATOM 0 HG SER A 61 14.233 2.283 -6.858 1.00 0.00 H new ATOM 1034 N TRP A 62 12.805 0.205 -9.118 1.00 0.00 N ATOM 1035 CA TRP A 62 12.221 -1.111 -8.920 1.00 0.00 C ATOM 1036 C TRP A 62 10.987 -0.951 -8.030 1.00 0.00 C ATOM 1037 O TRP A 62 10.698 0.146 -7.555 1.00 0.00 O ATOM 1038 CB TRP A 62 13.250 -2.086 -8.345 1.00 0.00 C ATOM 1039 CG TRP A 62 14.544 -2.176 -9.157 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.672 -1.471 -8.992 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.798 -3.052 -10.275 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.631 -1.828 -9.918 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.083 -2.820 -10.723 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.971 -4.009 -10.888 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.654 -3.505 -11.802 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.556 -4.685 -11.965 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.848 -4.463 -12.428 1.00 0.00 C ATOM 0 H TRP A 62 13.755 0.308 -8.761 1.00 0.00 H new ATOM 0 HA TRP A 62 11.911 -1.543 -9.872 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.493 -1.783 -7.326 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.801 -3.078 -8.284 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.813 -0.718 -8.230 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.569 -1.436 -9.997 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.963 -4.207 -10.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.662 -3.305 -12.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 13.962 -5.431 -12.472 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.228 -5.027 -13.267 1.00 0.00 H new ATOM 1058 N THR A 63 10.292 -2.062 -7.831 1.00 0.00 N ATOM 1059 CA THR A 63 9.096 -2.059 -7.006 1.00 0.00 C ATOM 1060 C THR A 63 9.094 -3.265 -6.065 1.00 0.00 C ATOM 1061 O THR A 63 10.143 -3.846 -5.792 1.00 0.00 O ATOM 1062 CB THR A 63 7.881 -2.011 -7.936 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.968 -3.222 -8.682 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.996 -0.913 -8.994 1.00 0.00 C ATOM 0 H THR A 63 10.535 -2.970 -8.227 1.00 0.00 H new ATOM 0 HA THR A 63 9.063 -1.182 -6.359 1.00 0.00 H new ATOM 0 HB THR A 63 6.978 -1.853 -7.346 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.110 -3.693 -8.642 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.108 -0.923 -9.627 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.082 0.057 -8.504 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.880 -1.089 -9.607 1.00 0.00 H new ATOM 1072 N GLU A 64 7.903 -3.606 -5.594 1.00 0.00 N ATOM 1073 CA GLU A 64 7.751 -4.732 -4.689 1.00 0.00 C ATOM 1074 C GLU A 64 7.800 -6.048 -5.467 1.00 0.00 C ATOM 1075 O GLU A 64 8.827 -6.724 -5.487 1.00 0.00 O ATOM 1076 CB GLU A 64 6.455 -4.618 -3.885 1.00 0.00 C ATOM 1077 CG GLU A 64 6.673 -3.810 -2.603 1.00 0.00 C ATOM 1078 CD GLU A 64 7.400 -4.645 -1.547 1.00 0.00 C ATOM 1079 OE1 GLU A 64 8.630 -4.808 -1.701 1.00 0.00 O ATOM 1080 OE2 GLU A 64 6.710 -5.100 -0.609 1.00 0.00 O ATOM 0 H GLU A 64 7.035 -3.122 -5.822 1.00 0.00 H new ATOM 0 HA GLU A 64 8.580 -4.720 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.686 -4.141 -4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.090 -5.614 -3.634 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.253 -2.915 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.712 -3.477 -2.211 1.00 0.00 H new ATOM 1087 N GLU A 65 6.675 -6.373 -6.088 1.00 0.00 N ATOM 1088 CA GLU A 65 6.577 -7.597 -6.865 1.00 0.00 C ATOM 1089 C GLU A 65 7.820 -7.771 -7.740 1.00 0.00 C ATOM 1090 O GLU A 65 8.333 -8.880 -7.882 1.00 0.00 O ATOM 1091 CB GLU A 65 5.303 -7.607 -7.713 1.00 0.00 C ATOM 1092 CG GLU A 65 4.055 -7.569 -6.829 1.00 0.00 C ATOM 1093 CD GLU A 65 2.946 -8.448 -7.408 1.00 0.00 C ATOM 1094 OE1 GLU A 65 2.223 -7.941 -8.292 1.00 0.00 O ATOM 1095 OE2 GLU A 65 2.846 -9.609 -6.954 1.00 0.00 O ATOM 0 H GLU A 65 5.824 -5.810 -6.069 1.00 0.00 H new ATOM 0 HA GLU A 65 6.522 -8.439 -6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.303 -6.749 -8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.284 -8.501 -8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.306 -7.909 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.700 -6.542 -6.739 1.00 0.00 H new ATOM 1102 N GLU A 66 8.268 -6.660 -8.305 1.00 0.00 N ATOM 1103 CA GLU A 66 9.441 -6.676 -9.162 1.00 0.00 C ATOM 1104 C GLU A 66 10.661 -7.172 -8.384 1.00 0.00 C ATOM 1105 O GLU A 66 11.504 -7.881 -8.930 1.00 0.00 O ATOM 1106 CB GLU A 66 9.699 -5.293 -9.763 1.00 0.00 C ATOM 1107 CG GLU A 66 8.680 -4.971 -10.858 1.00 0.00 C ATOM 1108 CD GLU A 66 9.258 -3.982 -11.872 1.00 0.00 C ATOM 1109 OE1 GLU A 66 9.256 -2.774 -11.551 1.00 0.00 O ATOM 1110 OE2 GLU A 66 9.687 -4.456 -12.946 1.00 0.00 O ATOM 0 H GLU A 66 7.840 -5.742 -8.186 1.00 0.00 H new ATOM 0 HA GLU A 66 9.256 -7.365 -9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.647 -4.537 -8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.707 -5.255 -10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.386 -5.889 -11.367 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.779 -4.552 -10.409 1.00 0.00 H new ATOM 1117 N ASP A 67 10.715 -6.780 -7.119 1.00 0.00 N ATOM 1118 CA ASP A 67 11.818 -7.176 -6.260 1.00 0.00 C ATOM 1119 C ASP A 67 11.807 -8.697 -6.091 1.00 0.00 C ATOM 1120 O ASP A 67 12.818 -9.358 -6.321 1.00 0.00 O ATOM 1121 CB ASP A 67 11.689 -6.546 -4.872 1.00 0.00 C ATOM 1122 CG ASP A 67 13.016 -6.234 -4.177 1.00 0.00 C ATOM 1123 OD1 ASP A 67 13.861 -7.154 -4.129 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.156 -5.083 -3.710 1.00 0.00 O ATOM 0 H ASP A 67 10.013 -6.193 -6.669 1.00 0.00 H new ATOM 0 HA ASP A 67 12.745 -6.839 -6.725 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.117 -5.623 -4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.113 -7.218 -4.237 1.00 0.00 H new ATOM 1129 N ARG A 68 10.651 -9.207 -5.691 1.00 0.00 N ATOM 1130 CA ARG A 68 10.495 -10.637 -5.489 1.00 0.00 C ATOM 1131 C ARG A 68 10.782 -11.392 -6.789 1.00 0.00 C ATOM 1132 O ARG A 68 11.673 -12.239 -6.835 1.00 0.00 O ATOM 1133 CB ARG A 68 9.080 -10.975 -5.014 1.00 0.00 C ATOM 1134 CG ARG A 68 8.797 -10.349 -3.647 1.00 0.00 C ATOM 1135 CD ARG A 68 8.293 -11.401 -2.656 1.00 0.00 C ATOM 1136 NE ARG A 68 9.362 -12.385 -2.375 1.00 0.00 N ATOM 1137 CZ ARG A 68 9.233 -13.411 -1.522 1.00 0.00 C ATOM 1138 NH1 ARG A 68 8.081 -13.593 -0.862 1.00 0.00 N ATOM 1139 NH2 ARG A 68 10.257 -14.254 -1.329 1.00 0.00 N ATOM 0 H ARG A 68 9.814 -8.655 -5.502 1.00 0.00 H new ATOM 0 HA ARG A 68 11.207 -10.943 -4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.352 -10.614 -5.741 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.961 -12.057 -4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.705 -9.885 -3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.055 -9.558 -3.752 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.978 -10.919 -1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.419 -11.908 -3.064 1.00 0.00 H new ATOM 0 HE ARG A 68 10.252 -12.276 -2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.302 -12.951 -1.009 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.983 -14.374 -0.213 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.134 -14.115 -1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.159 -15.035 -0.680 1.00 0.00 H new ATOM 1153 N ILE A 69 10.012 -11.056 -7.813 1.00 0.00 N ATOM 1154 CA ILE A 69 10.172 -11.691 -9.110 1.00 0.00 C ATOM 1155 C ILE A 69 11.654 -11.991 -9.347 1.00 0.00 C ATOM 1156 O ILE A 69 12.010 -13.095 -9.755 1.00 0.00 O ATOM 1157 CB ILE A 69 9.535 -10.836 -10.208 1.00 0.00 C ATOM 1158 CG1 ILE A 69 8.018 -10.757 -10.030 1.00 0.00 C ATOM 1159 CG2 ILE A 69 9.924 -11.349 -11.597 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.437 -9.568 -10.798 1.00 0.00 C ATOM 0 H ILE A 69 9.275 -10.352 -7.771 1.00 0.00 H new ATOM 0 HA ILE A 69 9.645 -12.645 -9.134 1.00 0.00 H new ATOM 0 HB ILE A 69 9.923 -9.821 -10.119 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.558 -11.681 -10.381 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.777 -10.663 -8.971 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.458 -10.724 -12.359 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.008 -11.311 -11.709 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.583 -12.378 -11.713 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.357 -9.535 -10.655 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.881 -8.644 -10.428 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.659 -9.677 -11.860 1.00 0.00 H new ATOM 1172 N ILE A 70 12.478 -10.988 -9.079 1.00 0.00 N ATOM 1173 CA ILE A 70 13.913 -11.130 -9.258 1.00 0.00 C ATOM 1174 C ILE A 70 14.412 -12.308 -8.419 1.00 0.00 C ATOM 1175 O ILE A 70 14.866 -13.314 -8.962 1.00 0.00 O ATOM 1176 CB ILE A 70 14.624 -9.811 -8.950 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.941 -8.641 -9.661 1.00 0.00 C ATOM 1178 CG2 ILE A 70 16.113 -9.899 -9.292 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.839 -8.065 -10.757 1.00 0.00 C ATOM 0 H ILE A 70 12.179 -10.074 -8.739 1.00 0.00 H new ATOM 0 HA ILE A 70 14.147 -11.356 -10.298 1.00 0.00 H new ATOM 0 HB ILE A 70 14.550 -9.624 -7.879 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.999 -8.975 -10.096 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.699 -7.862 -8.938 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.596 -8.949 -9.064 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.575 -10.691 -8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.230 -10.120 -10.353 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.329 -7.235 -11.246 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.770 -7.709 -10.315 1.00 0.00 H new ATOM 0 HD13 ILE A 70 15.059 -8.840 -11.492 1.00 0.00 H new ATOM 1191 N PHE A 71 14.312 -12.144 -7.108 1.00 0.00 N ATOM 1192 CA PHE A 71 14.748 -13.181 -6.188 1.00 0.00 C ATOM 1193 C PHE A 71 13.994 -14.489 -6.439 1.00 0.00 C ATOM 1194 O PHE A 71 14.403 -15.546 -5.963 1.00 0.00 O ATOM 1195 CB PHE A 71 14.433 -12.688 -4.775 1.00 0.00 C ATOM 1196 CG PHE A 71 14.450 -13.789 -3.713 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.446 -14.704 -3.666 1.00 0.00 C ATOM 1198 CD2 PHE A 71 15.471 -13.852 -2.816 1.00 0.00 C ATOM 1199 CE1 PHE A 71 13.462 -15.726 -2.680 1.00 0.00 C ATOM 1200 CE2 PHE A 71 15.487 -14.874 -1.830 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.483 -15.790 -1.783 1.00 0.00 C ATOM 0 H PHE A 71 13.935 -11.308 -6.661 1.00 0.00 H new ATOM 0 HA PHE A 71 15.812 -13.374 -6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 71 15.156 -11.921 -4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.451 -12.215 -4.777 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.636 -14.654 -4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 71 16.269 -13.125 -2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.664 -16.452 -2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 71 16.297 -14.924 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.496 -16.568 -1.034 1.00 0.00 H new ATOM 1211 N GLU A 72 12.906 -14.373 -7.187 1.00 0.00 N ATOM 1212 CA GLU A 72 12.091 -15.533 -7.506 1.00 0.00 C ATOM 1213 C GLU A 72 12.627 -16.229 -8.759 1.00 0.00 C ATOM 1214 O GLU A 72 12.298 -17.385 -9.020 1.00 0.00 O ATOM 1215 CB GLU A 72 10.623 -15.139 -7.683 1.00 0.00 C ATOM 1216 CG GLU A 72 10.176 -15.328 -9.134 1.00 0.00 C ATOM 1217 CD GLU A 72 9.835 -16.792 -9.417 1.00 0.00 C ATOM 1218 OE1 GLU A 72 9.763 -17.559 -8.431 1.00 0.00 O ATOM 1219 OE2 GLU A 72 9.654 -17.113 -10.611 1.00 0.00 O ATOM 0 H GLU A 72 12.570 -13.494 -7.581 1.00 0.00 H new ATOM 0 HA GLU A 72 12.147 -16.233 -6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.999 -15.743 -7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.484 -14.099 -7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.306 -14.703 -9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.967 -14.998 -9.808 1.00 0.00 H new ATOM 1226 N ALA A 73 13.442 -15.495 -9.502 1.00 0.00 N ATOM 1227 CA ALA A 73 14.027 -16.027 -10.721 1.00 0.00 C ATOM 1228 C ALA A 73 15.502 -16.352 -10.475 1.00 0.00 C ATOM 1229 O ALA A 73 16.057 -17.249 -11.107 1.00 0.00 O ATOM 1230 CB ALA A 73 13.832 -15.025 -11.860 1.00 0.00 C ATOM 0 H ALA A 73 13.711 -14.536 -9.283 1.00 0.00 H new ATOM 0 HA ALA A 73 13.531 -16.953 -11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.271 -15.424 -12.775 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.767 -14.852 -12.014 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.319 -14.084 -11.604 1.00 0.00 H new ATOM 1236 N HIS A 74 16.094 -15.603 -9.556 1.00 0.00 N ATOM 1237 CA HIS A 74 17.494 -15.800 -9.219 1.00 0.00 C ATOM 1238 C HIS A 74 17.658 -17.119 -8.461 1.00 0.00 C ATOM 1239 O HIS A 74 18.774 -17.614 -8.304 1.00 0.00 O ATOM 1240 CB HIS A 74 18.040 -14.599 -8.444 1.00 0.00 C ATOM 1241 CG HIS A 74 19.535 -14.420 -8.563 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.289 -13.853 -9.548 1.00 0.00 N flip ATOM 1243 CD2 HIS A 74 20.421 -14.852 -7.592 1.00 0.00 C flip ATOM 1244 CE1 HIS A 74 21.566 -13.933 -9.197 1.00 0.00 C flip ATOM 1245 NE2 HIS A 74 21.650 -14.552 -7.985 1.00 0.00 N flip ATOM 0 H HIS A 74 15.630 -14.859 -9.035 1.00 0.00 H new ATOM 0 HA HIS A 74 18.086 -15.869 -10.132 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.547 -13.695 -8.800 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.780 -14.710 -7.391 1.00 0.00 H new ATOM 0 HD1 HIS A 74 19.932 -13.438 -10.408 1.00 0.00 H new ATOM 0 HD2 HIS A 74 20.156 -15.349 -6.671 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.401 -13.568 -9.776 1.00 0.00 H new ATOM 1253 N LYS A 75 16.531 -17.651 -8.012 1.00 0.00 N ATOM 1254 CA LYS A 75 16.537 -18.903 -7.274 1.00 0.00 C ATOM 1255 C LYS A 75 16.048 -20.030 -8.187 1.00 0.00 C ATOM 1256 O LYS A 75 15.725 -21.119 -7.716 1.00 0.00 O ATOM 1257 CB LYS A 75 15.731 -18.766 -5.981 1.00 0.00 C ATOM 1258 CG LYS A 75 14.253 -19.080 -6.219 1.00 0.00 C ATOM 1259 CD LYS A 75 13.395 -18.603 -5.046 1.00 0.00 C ATOM 1260 CE LYS A 75 12.286 -19.610 -4.733 1.00 0.00 C ATOM 1261 NZ LYS A 75 11.174 -19.473 -5.700 1.00 0.00 N ATOM 0 H LYS A 75 15.608 -17.238 -8.145 1.00 0.00 H new ATOM 0 HA LYS A 75 17.551 -19.159 -6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.132 -19.441 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.833 -17.753 -5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.919 -18.599 -7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.123 -20.154 -6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.022 -18.462 -4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.955 -17.634 -5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.686 -20.623 -4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.917 -19.450 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.430 -20.163 -5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.782 -18.511 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.527 -19.648 -6.662 1.00 0.00 H new ATOM 1275 N VAL A 76 16.008 -19.728 -9.476 1.00 0.00 N ATOM 1276 CA VAL A 76 15.563 -20.702 -10.459 1.00 0.00 C ATOM 1277 C VAL A 76 16.696 -20.971 -11.452 1.00 0.00 C ATOM 1278 O VAL A 76 16.913 -22.112 -11.857 1.00 0.00 O ATOM 1279 CB VAL A 76 14.280 -20.215 -11.135 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.439 -21.394 -11.628 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.471 -19.320 -10.194 1.00 0.00 C ATOM 0 H VAL A 76 16.276 -18.823 -9.863 1.00 0.00 H new ATOM 0 HA VAL A 76 15.321 -21.649 -9.976 1.00 0.00 H new ATOM 0 HB VAL A 76 14.563 -19.620 -12.003 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.533 -21.020 -12.105 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.014 -21.975 -12.348 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.170 -22.027 -10.783 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.564 -18.987 -10.699 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.203 -19.881 -9.299 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.069 -18.453 -9.913 1.00 0.00 H new ATOM 1291 N LEU A 77 17.388 -19.902 -11.815 1.00 0.00 N ATOM 1292 CA LEU A 77 18.493 -20.009 -12.753 1.00 0.00 C ATOM 1293 C LEU A 77 19.790 -19.594 -12.055 1.00 0.00 C ATOM 1294 O LEU A 77 20.627 -20.438 -11.740 1.00 0.00 O ATOM 1295 CB LEU A 77 18.196 -19.211 -14.024 1.00 0.00 C ATOM 1296 CG LEU A 77 16.718 -19.052 -14.386 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.192 -17.682 -13.954 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.488 -19.311 -15.877 1.00 0.00 C ATOM 0 H LEU A 77 17.205 -18.957 -11.477 1.00 0.00 H new ATOM 0 HA LEU A 77 18.620 -21.042 -13.076 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.632 -18.218 -13.916 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.704 -19.693 -14.859 1.00 0.00 H new ATOM 0 HG LEU A 77 16.149 -19.802 -13.837 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.139 -17.595 -14.223 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.301 -17.574 -12.875 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.761 -16.899 -14.456 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.429 -19.192 -16.108 1.00 0.00 H new ATOM 0 HD22 LEU A 77 17.070 -18.600 -16.464 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.801 -20.326 -16.122 1.00 0.00 H new ATOM 1310 N GLY A 78 19.916 -18.293 -11.835 1.00 0.00 N ATOM 1311 CA GLY A 78 21.097 -17.756 -11.180 1.00 0.00 C ATOM 1312 C GLY A 78 21.274 -16.270 -11.502 1.00 0.00 C ATOM 1313 O GLY A 78 20.367 -15.471 -11.276 1.00 0.00 O ATOM 0 H GLY A 78 19.220 -17.596 -12.099 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.012 -17.891 -10.102 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.979 -18.309 -11.502 1.00 0.00 H new ATOM 1317 N ASN A 79 22.448 -15.946 -12.023 1.00 0.00 N ATOM 1318 CA ASN A 79 22.755 -14.571 -12.378 1.00 0.00 C ATOM 1319 C ASN A 79 22.329 -14.315 -13.825 1.00 0.00 C ATOM 1320 O ASN A 79 22.870 -13.431 -14.487 1.00 0.00 O ATOM 1321 CB ASN A 79 24.256 -14.297 -12.271 1.00 0.00 C ATOM 1322 CG ASN A 79 25.031 -15.588 -11.998 1.00 0.00 C ATOM 1323 OD1 ASN A 79 24.939 -16.564 -12.725 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.798 -15.539 -10.913 1.00 0.00 N ATOM 0 H ASN A 79 23.198 -16.612 -12.208 1.00 0.00 H new ATOM 0 HA ASN A 79 22.219 -13.917 -11.690 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.613 -13.843 -13.195 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.442 -13.581 -11.471 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.355 -16.350 -10.645 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.829 -14.690 -10.348 1.00 0.00 H new ATOM 1331 N ARG A 80 21.363 -15.104 -14.272 1.00 0.00 N ATOM 1332 CA ARG A 80 20.859 -14.973 -15.629 1.00 0.00 C ATOM 1333 C ARG A 80 20.031 -13.694 -15.766 1.00 0.00 C ATOM 1334 O ARG A 80 18.860 -13.745 -16.139 1.00 0.00 O ATOM 1335 CB ARG A 80 19.994 -16.175 -16.013 1.00 0.00 C ATOM 1336 CG ARG A 80 20.777 -17.157 -16.886 1.00 0.00 C ATOM 1337 CD ARG A 80 21.065 -18.455 -16.129 1.00 0.00 C ATOM 1338 NE ARG A 80 21.009 -19.606 -17.058 1.00 0.00 N ATOM 1339 CZ ARG A 80 21.621 -20.778 -16.839 1.00 0.00 C ATOM 1340 NH1 ARG A 80 22.338 -20.962 -15.723 1.00 0.00 N ATOM 1341 NH2 ARG A 80 21.515 -21.767 -17.737 1.00 0.00 N ATOM 0 H ARG A 80 20.916 -15.836 -13.719 1.00 0.00 H new ATOM 0 HA ARG A 80 21.718 -14.928 -16.299 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.647 -16.681 -15.112 1.00 0.00 H new ATOM 0 HB3 ARG A 80 19.108 -15.834 -16.548 1.00 0.00 H new ATOM 0 HG2 ARG A 80 20.210 -17.377 -17.790 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.715 -16.700 -17.202 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.048 -18.402 -15.661 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.338 -18.588 -15.328 1.00 0.00 H new ATOM 0 HE ARG A 80 20.471 -19.501 -17.918 1.00 0.00 H new ATOM 0 HH11 ARG A 80 22.419 -20.210 -15.039 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.803 -21.854 -15.557 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.969 -21.628 -18.587 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.981 -22.659 -17.571 1.00 0.00 H new ATOM 1355 N TRP A 81 20.673 -12.576 -15.458 1.00 0.00 N ATOM 1356 CA TRP A 81 20.010 -11.285 -15.543 1.00 0.00 C ATOM 1357 C TRP A 81 19.409 -11.153 -16.944 1.00 0.00 C ATOM 1358 O TRP A 81 18.329 -10.589 -17.109 1.00 0.00 O ATOM 1359 CB TRP A 81 20.976 -10.150 -15.197 1.00 0.00 C ATOM 1360 CG TRP A 81 21.947 -10.483 -14.063 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.284 -10.555 -14.116 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.601 -10.788 -12.695 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.823 -10.883 -12.889 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.766 -11.029 -11.997 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.344 -10.858 -12.069 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.791 -11.356 -10.636 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.386 -11.186 -10.709 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.551 -11.432 -9.992 1.00 0.00 C ATOM 0 H TRP A 81 21.644 -12.537 -15.149 1.00 0.00 H new ATOM 0 HA TRP A 81 19.205 -11.215 -14.812 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.549 -9.890 -16.087 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.399 -9.268 -14.920 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.867 -10.378 -15.008 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.814 -10.997 -12.676 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.419 -10.673 -12.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.717 -11.540 -10.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.447 -11.253 -10.179 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.499 -11.681 -8.942 1.00 0.00 H new ATOM 1379 N ALA A 82 20.136 -11.683 -17.917 1.00 0.00 N ATOM 1380 CA ALA A 82 19.688 -11.631 -19.298 1.00 0.00 C ATOM 1381 C ALA A 82 18.320 -12.306 -19.412 1.00 0.00 C ATOM 1382 O ALA A 82 17.559 -12.024 -20.336 1.00 0.00 O ATOM 1383 CB ALA A 82 20.737 -12.285 -20.200 1.00 0.00 C ATOM 0 H ALA A 82 21.032 -12.150 -17.776 1.00 0.00 H new ATOM 0 HA ALA A 82 19.574 -10.598 -19.625 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.401 -12.246 -21.236 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.683 -11.751 -20.105 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.876 -13.324 -19.902 1.00 0.00 H new ATOM 1389 N GLU A 83 18.048 -13.185 -18.458 1.00 0.00 N ATOM 1390 CA GLU A 83 16.784 -13.902 -18.439 1.00 0.00 C ATOM 1391 C GLU A 83 15.826 -13.263 -17.432 1.00 0.00 C ATOM 1392 O GLU A 83 14.617 -13.228 -17.656 1.00 0.00 O ATOM 1393 CB GLU A 83 17.000 -15.384 -18.127 1.00 0.00 C ATOM 1394 CG GLU A 83 18.146 -15.959 -18.962 1.00 0.00 C ATOM 1395 CD GLU A 83 17.744 -16.084 -20.433 1.00 0.00 C ATOM 1396 OE1 GLU A 83 16.574 -16.453 -20.673 1.00 0.00 O ATOM 1397 OE2 GLU A 83 18.616 -15.807 -21.285 1.00 0.00 O ATOM 0 H GLU A 83 18.681 -13.417 -17.693 1.00 0.00 H new ATOM 0 HA GLU A 83 16.335 -13.835 -19.430 1.00 0.00 H new ATOM 0 HB2 GLU A 83 17.220 -15.508 -17.067 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.084 -15.939 -18.329 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.022 -15.317 -18.874 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.428 -16.938 -18.574 1.00 0.00 H new ATOM 1404 N ILE A 84 16.403 -12.775 -16.343 1.00 0.00 N ATOM 1405 CA ILE A 84 15.615 -12.139 -15.301 1.00 0.00 C ATOM 1406 C ILE A 84 14.804 -10.992 -15.907 1.00 0.00 C ATOM 1407 O ILE A 84 13.589 -10.926 -15.732 1.00 0.00 O ATOM 1408 CB ILE A 84 16.512 -11.711 -14.138 1.00 0.00 C ATOM 1409 CG1 ILE A 84 17.291 -12.902 -13.578 1.00 0.00 C ATOM 1410 CG2 ILE A 84 15.701 -10.996 -13.054 1.00 0.00 C ATOM 1411 CD1 ILE A 84 16.470 -13.649 -12.526 1.00 0.00 C ATOM 0 H ILE A 84 17.406 -12.807 -16.160 1.00 0.00 H new ATOM 0 HA ILE A 84 14.900 -12.846 -14.879 1.00 0.00 H new ATOM 0 HB ILE A 84 17.244 -10.997 -14.517 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.555 -13.582 -14.388 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.225 -12.555 -13.136 1.00 0.00 H new ATOM 0 HG21 ILE A 84 16.362 -10.702 -12.239 1.00 0.00 H new ATOM 0 HG22 ILE A 84 15.231 -10.108 -13.477 1.00 0.00 H new ATOM 0 HG23 ILE A 84 14.932 -11.667 -12.673 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.047 -14.491 -12.144 1.00 0.00 H new ATOM 0 HD12 ILE A 84 16.228 -12.973 -11.706 1.00 0.00 H new ATOM 0 HD13 ILE A 84 15.548 -14.016 -12.977 1.00 0.00 H new ATOM 1423 N ALA A 85 15.510 -10.117 -16.608 1.00 0.00 N ATOM 1424 CA ALA A 85 14.871 -8.976 -17.242 1.00 0.00 C ATOM 1425 C ALA A 85 13.870 -9.473 -18.286 1.00 0.00 C ATOM 1426 O ALA A 85 12.785 -8.912 -18.427 1.00 0.00 O ATOM 1427 CB ALA A 85 15.940 -8.063 -17.846 1.00 0.00 C ATOM 0 H ALA A 85 16.518 -10.175 -16.751 1.00 0.00 H new ATOM 0 HA ALA A 85 14.318 -8.389 -16.509 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.461 -7.207 -18.322 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.608 -7.714 -17.058 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.514 -8.617 -18.589 1.00 0.00 H new ATOM 1433 N LYS A 86 14.270 -10.520 -18.992 1.00 0.00 N ATOM 1434 CA LYS A 86 13.421 -11.099 -20.020 1.00 0.00 C ATOM 1435 C LYS A 86 12.016 -11.312 -19.454 1.00 0.00 C ATOM 1436 O LYS A 86 11.034 -11.283 -20.194 1.00 0.00 O ATOM 1437 CB LYS A 86 14.056 -12.372 -20.585 1.00 0.00 C ATOM 1438 CG LYS A 86 14.955 -12.051 -21.781 1.00 0.00 C ATOM 1439 CD LYS A 86 15.584 -13.325 -22.350 1.00 0.00 C ATOM 1440 CE LYS A 86 14.643 -14.002 -23.348 1.00 0.00 C ATOM 1441 NZ LYS A 86 15.407 -14.553 -24.490 1.00 0.00 N ATOM 0 H LYS A 86 15.171 -10.983 -18.873 1.00 0.00 H new ATOM 0 HA LYS A 86 13.325 -10.416 -20.864 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.640 -12.867 -19.809 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.275 -13.069 -20.889 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.372 -11.551 -22.555 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.739 -11.359 -21.476 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.526 -13.082 -22.841 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.816 -14.014 -21.538 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.092 -14.801 -22.852 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.907 -13.283 -23.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.753 -15.009 -25.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.914 -13.783 -24.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.092 -15.254 -24.143 1.00 0.00 H new ATOM 1455 N LEU A 87 11.964 -11.521 -18.147 1.00 0.00 N ATOM 1456 CA LEU A 87 10.695 -11.738 -17.473 1.00 0.00 C ATOM 1457 C LEU A 87 10.031 -10.387 -17.198 1.00 0.00 C ATOM 1458 O LEU A 87 8.807 -10.272 -17.245 1.00 0.00 O ATOM 1459 CB LEU A 87 10.893 -12.593 -16.220 1.00 0.00 C ATOM 1460 CG LEU A 87 10.837 -14.108 -16.425 1.00 0.00 C ATOM 1461 CD1 LEU A 87 12.108 -14.779 -15.902 1.00 0.00 C ATOM 1462 CD2 LEU A 87 9.575 -14.700 -15.794 1.00 0.00 C ATOM 0 H LEU A 87 12.781 -11.545 -17.536 1.00 0.00 H new ATOM 0 HA LEU A 87 10.016 -12.303 -18.112 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.859 -12.341 -15.782 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.131 -12.317 -15.492 1.00 0.00 H new ATOM 0 HG LEU A 87 10.785 -14.306 -17.496 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.042 -15.856 -16.060 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.973 -14.386 -16.436 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.216 -14.574 -14.837 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.560 -15.778 -15.954 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.571 -14.492 -14.724 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.694 -14.252 -16.254 1.00 0.00 H new ATOM 1474 N LEU A 88 10.867 -9.399 -16.916 1.00 0.00 N ATOM 1475 CA LEU A 88 10.377 -8.061 -16.633 1.00 0.00 C ATOM 1476 C LEU A 88 10.849 -7.106 -17.731 1.00 0.00 C ATOM 1477 O LEU A 88 12.023 -6.739 -17.777 1.00 0.00 O ATOM 1478 CB LEU A 88 10.784 -7.628 -15.224 1.00 0.00 C ATOM 1479 CG LEU A 88 10.482 -8.623 -14.102 1.00 0.00 C ATOM 1480 CD1 LEU A 88 11.522 -9.745 -14.069 1.00 0.00 C ATOM 1481 CD2 LEU A 88 10.365 -7.911 -12.753 1.00 0.00 C ATOM 0 H LEU A 88 11.881 -9.498 -16.877 1.00 0.00 H new ATOM 0 HA LEU A 88 9.287 -8.045 -16.644 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.855 -7.424 -15.223 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.281 -6.689 -14.995 1.00 0.00 H new ATOM 0 HG LEU A 88 9.516 -9.085 -14.307 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.284 -10.438 -13.262 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.513 -10.278 -15.020 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.511 -9.319 -13.901 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.150 -8.642 -11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 88 11.303 -7.404 -12.527 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.558 -7.179 -12.797 1.00 0.00 H new ATOM 1493 N PRO A 89 9.887 -6.721 -18.612 1.00 0.00 N ATOM 1494 CA PRO A 89 10.193 -5.816 -19.706 1.00 0.00 C ATOM 1495 C PRO A 89 10.355 -4.381 -19.202 1.00 0.00 C ATOM 1496 O PRO A 89 10.606 -3.468 -19.987 1.00 0.00 O ATOM 1497 CB PRO A 89 9.040 -5.976 -20.683 1.00 0.00 C ATOM 1498 CG PRO A 89 7.908 -6.610 -19.891 1.00 0.00 C ATOM 1499 CD PRO A 89 8.488 -7.136 -18.588 1.00 0.00 C ATOM 0 HA PRO A 89 11.142 -6.047 -20.190 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.738 -5.012 -21.092 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.327 -6.605 -21.526 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.125 -5.878 -19.692 1.00 0.00 H new ATOM 0 HG3 PRO A 89 7.451 -7.420 -20.460 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.966 -6.720 -17.726 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.397 -8.220 -18.523 1.00 0.00 H new ATOM 1507 N GLY A 90 10.205 -4.226 -17.895 1.00 0.00 N ATOM 1508 CA GLY A 90 10.331 -2.917 -17.277 1.00 0.00 C ATOM 1509 C GLY A 90 11.793 -2.602 -16.955 1.00 0.00 C ATOM 1510 O GLY A 90 12.126 -1.468 -16.612 1.00 0.00 O ATOM 0 H GLY A 90 9.997 -4.985 -17.247 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.930 -2.155 -17.945 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.738 -2.884 -16.363 1.00 0.00 H new ATOM 1514 N ARG A 91 12.627 -3.624 -17.077 1.00 0.00 N ATOM 1515 CA ARG A 91 14.046 -3.470 -16.804 1.00 0.00 C ATOM 1516 C ARG A 91 14.863 -4.410 -17.693 1.00 0.00 C ATOM 1517 O ARG A 91 14.310 -5.310 -18.323 1.00 0.00 O ATOM 1518 CB ARG A 91 14.359 -3.767 -15.336 1.00 0.00 C ATOM 1519 CG ARG A 91 13.939 -2.601 -14.439 1.00 0.00 C ATOM 1520 CD ARG A 91 14.881 -1.407 -14.613 1.00 0.00 C ATOM 1521 NE ARG A 91 14.348 -0.232 -13.889 1.00 0.00 N ATOM 1522 CZ ARG A 91 14.894 0.991 -13.936 1.00 0.00 C ATOM 1523 NH1 ARG A 91 15.993 1.205 -14.673 1.00 0.00 N ATOM 1524 NH2 ARG A 91 14.342 1.998 -13.246 1.00 0.00 N ATOM 0 H ARG A 91 12.347 -4.563 -17.361 1.00 0.00 H new ATOM 0 HA ARG A 91 14.315 -2.436 -17.020 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.840 -4.674 -15.026 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.426 -3.955 -15.219 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.919 -2.302 -14.680 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.940 -2.921 -13.397 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.873 -1.658 -14.236 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.992 -1.172 -15.672 1.00 0.00 H new ATOM 0 HE ARG A 91 13.513 -0.361 -13.318 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.413 0.437 -15.197 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.409 2.135 -14.710 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.506 1.834 -12.685 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.758 2.929 -13.282 1.00 0.00 H new ATOM 1538 N THR A 92 16.165 -4.168 -17.714 1.00 0.00 N ATOM 1539 CA THR A 92 17.064 -4.982 -18.516 1.00 0.00 C ATOM 1540 C THR A 92 17.983 -5.807 -17.613 1.00 0.00 C ATOM 1541 O THR A 92 17.798 -5.843 -16.398 1.00 0.00 O ATOM 1542 CB THR A 92 17.821 -4.053 -19.467 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.250 -2.979 -18.636 1.00 0.00 O ATOM 1544 CG2 THR A 92 16.899 -3.386 -20.491 1.00 0.00 C ATOM 0 H THR A 92 16.619 -3.421 -17.189 1.00 0.00 H new ATOM 0 HA THR A 92 16.513 -5.706 -19.116 1.00 0.00 H new ATOM 0 HB THR A 92 18.594 -4.619 -19.988 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.229 -2.963 -18.602 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.486 -2.737 -21.141 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.407 -4.152 -21.091 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.146 -2.793 -19.971 1.00 0.00 H new ATOM 1552 N ASP A 93 18.955 -6.451 -18.243 1.00 0.00 N ATOM 1553 CA ASP A 93 19.904 -7.274 -17.512 1.00 0.00 C ATOM 1554 C ASP A 93 20.755 -6.381 -16.606 1.00 0.00 C ATOM 1555 O ASP A 93 20.652 -6.455 -15.383 1.00 0.00 O ATOM 1556 CB ASP A 93 20.845 -8.010 -18.468 1.00 0.00 C ATOM 1557 CG ASP A 93 21.210 -7.239 -19.738 1.00 0.00 C ATOM 1558 OD1 ASP A 93 20.342 -7.178 -20.635 1.00 0.00 O ATOM 1559 OD2 ASP A 93 22.350 -6.729 -19.783 1.00 0.00 O ATOM 0 H ASP A 93 19.106 -6.419 -19.251 1.00 0.00 H new ATOM 0 HA ASP A 93 19.340 -8.002 -16.929 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.763 -8.255 -17.933 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.382 -8.954 -18.755 1.00 0.00 H new ATOM 1564 N ASN A 94 21.576 -5.558 -17.242 1.00 0.00 N ATOM 1565 CA ASN A 94 22.444 -4.653 -16.509 1.00 0.00 C ATOM 1566 C ASN A 94 21.666 -4.040 -15.343 1.00 0.00 C ATOM 1567 O ASN A 94 22.248 -3.706 -14.312 1.00 0.00 O ATOM 1568 CB ASN A 94 22.931 -3.511 -17.404 1.00 0.00 C ATOM 1569 CG ASN A 94 21.949 -3.254 -18.548 1.00 0.00 C ATOM 1570 OD1 ASN A 94 20.808 -2.870 -18.347 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.453 -3.487 -19.757 1.00 0.00 N ATOM 0 H ASN A 94 21.658 -5.499 -18.257 1.00 0.00 H new ATOM 0 HA ASN A 94 23.302 -5.223 -16.153 1.00 0.00 H new ATOM 0 HB2 ASN A 94 23.049 -2.604 -16.811 1.00 0.00 H new ATOM 0 HB3 ASN A 94 23.912 -3.756 -17.810 1.00 0.00 H new ATOM 0 HD21 ASN A 94 21.876 -3.345 -20.586 1.00 0.00 H new ATOM 0 HD22 ASN A 94 23.416 -3.807 -19.855 1.00 0.00 H new ATOM 1578 N ALA A 95 20.363 -3.912 -15.545 1.00 0.00 N ATOM 1579 CA ALA A 95 19.499 -3.345 -14.523 1.00 0.00 C ATOM 1580 C ALA A 95 19.406 -4.317 -13.345 1.00 0.00 C ATOM 1581 O ALA A 95 19.861 -4.009 -12.244 1.00 0.00 O ATOM 1582 CB ALA A 95 18.130 -3.030 -15.129 1.00 0.00 C ATOM 0 H ALA A 95 19.884 -4.191 -16.401 1.00 0.00 H new ATOM 0 HA ALA A 95 19.912 -2.409 -14.147 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.482 -2.605 -14.363 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.248 -2.314 -15.942 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.683 -3.946 -15.514 1.00 0.00 H new ATOM 1588 N VAL A 96 18.813 -5.470 -13.616 1.00 0.00 N ATOM 1589 CA VAL A 96 18.654 -6.489 -12.592 1.00 0.00 C ATOM 1590 C VAL A 96 20.018 -6.799 -11.971 1.00 0.00 C ATOM 1591 O VAL A 96 20.190 -6.691 -10.758 1.00 0.00 O ATOM 1592 CB VAL A 96 17.972 -7.724 -13.184 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.876 -8.846 -12.148 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.591 -7.373 -13.742 1.00 0.00 C ATOM 0 H VAL A 96 18.437 -5.722 -14.530 1.00 0.00 H new ATOM 0 HA VAL A 96 18.007 -6.129 -11.792 1.00 0.00 H new ATOM 0 HB VAL A 96 18.586 -8.082 -14.010 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.387 -9.712 -12.594 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.877 -9.124 -11.819 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.295 -8.502 -11.292 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.128 -8.268 -14.157 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.965 -6.978 -12.942 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.695 -6.622 -14.525 1.00 0.00 H new ATOM 1604 N LYS A 97 20.951 -7.177 -12.831 1.00 0.00 N ATOM 1605 CA LYS A 97 22.294 -7.504 -12.382 1.00 0.00 C ATOM 1606 C LYS A 97 22.717 -6.517 -11.292 1.00 0.00 C ATOM 1607 O LYS A 97 22.842 -6.890 -10.127 1.00 0.00 O ATOM 1608 CB LYS A 97 23.258 -7.558 -13.569 1.00 0.00 C ATOM 1609 CG LYS A 97 24.676 -7.902 -13.109 1.00 0.00 C ATOM 1610 CD LYS A 97 25.594 -8.155 -14.306 1.00 0.00 C ATOM 1611 CE LYS A 97 25.934 -6.847 -15.023 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.374 -6.536 -14.879 1.00 0.00 N ATOM 0 H LYS A 97 20.804 -7.264 -13.837 1.00 0.00 H new ATOM 0 HA LYS A 97 22.315 -8.499 -11.938 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.914 -8.302 -14.287 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.262 -6.597 -14.083 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.075 -7.086 -12.506 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.651 -8.786 -12.472 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.511 -8.638 -13.970 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.110 -8.840 -15.002 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.677 -6.927 -16.079 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.337 -6.034 -14.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.588 -5.645 -15.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.609 -6.439 -13.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.938 -7.305 -15.294 1.00 0.00 H new ATOM 1626 N ASN A 98 22.924 -5.277 -11.709 1.00 0.00 N ATOM 1627 CA ASN A 98 23.330 -4.233 -10.783 1.00 0.00 C ATOM 1628 C ASN A 98 22.317 -4.151 -9.639 1.00 0.00 C ATOM 1629 O ASN A 98 22.692 -4.200 -8.469 1.00 0.00 O ATOM 1630 CB ASN A 98 23.374 -2.869 -11.474 1.00 0.00 C ATOM 1631 CG ASN A 98 24.358 -1.931 -10.774 1.00 0.00 C ATOM 1632 OD1 ASN A 98 24.135 -1.470 -9.666 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.457 -1.674 -11.478 1.00 0.00 N ATOM 0 H ASN A 98 22.818 -4.971 -12.676 1.00 0.00 H new ATOM 0 HA ASN A 98 24.324 -4.480 -10.411 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.665 -2.995 -12.517 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.379 -2.424 -11.473 1.00 0.00 H new ATOM 0 HD21 ASN A 98 26.175 -1.058 -11.096 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.582 -2.093 -12.400 1.00 0.00 H new ATOM 1640 N HIS A 99 21.054 -4.027 -10.018 1.00 0.00 N ATOM 1641 CA HIS A 99 19.984 -3.938 -9.038 1.00 0.00 C ATOM 1642 C HIS A 99 20.200 -4.986 -7.945 1.00 0.00 C ATOM 1643 O HIS A 99 19.821 -4.776 -6.794 1.00 0.00 O ATOM 1644 CB HIS A 99 18.617 -4.058 -9.714 1.00 0.00 C ATOM 1645 CG HIS A 99 17.467 -4.219 -8.749 1.00 0.00 C ATOM 1646 ND1 HIS A 99 17.268 -3.374 -7.671 1.00 0.00 N ATOM 1647 CD2 HIS A 99 16.457 -5.135 -8.711 1.00 0.00 C ATOM 1648 CE1 HIS A 99 16.185 -3.773 -7.020 1.00 0.00 C ATOM 1649 NE2 HIS A 99 15.684 -4.865 -7.666 1.00 0.00 N ATOM 0 H HIS A 99 20.747 -3.986 -10.990 1.00 0.00 H new ATOM 0 HA HIS A 99 20.003 -2.958 -8.561 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.445 -3.171 -10.323 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.632 -4.912 -10.391 1.00 0.00 H new ATOM 0 HD2 HIS A 99 16.311 -5.943 -9.412 1.00 0.00 H new ATOM 0 HE1 HIS A 99 15.772 -3.314 -6.134 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.852 -5.388 -7.391 1.00 0.00 H new ATOM 1657 N TRP A 100 20.808 -6.094 -8.344 1.00 0.00 N ATOM 1658 CA TRP A 100 21.079 -7.176 -7.413 1.00 0.00 C ATOM 1659 C TRP A 100 21.966 -6.626 -6.294 1.00 0.00 C ATOM 1660 O TRP A 100 21.545 -6.558 -5.141 1.00 0.00 O ATOM 1661 CB TRP A 100 21.699 -8.376 -8.132 1.00 0.00 C ATOM 1662 CG TRP A 100 21.470 -9.712 -7.424 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.384 -10.627 -7.072 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.202 -10.250 -6.992 1.00 0.00 C ATOM 1665 NE1 TRP A 100 21.801 -11.711 -6.448 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.432 -11.475 -6.398 1.00 0.00 C ATOM 1667 CE3 TRP A 100 18.904 -9.720 -7.100 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.412 -12.272 -5.865 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 17.896 -10.529 -6.563 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.110 -11.764 -5.961 1.00 0.00 C ATOM 0 H TRP A 100 21.121 -6.265 -9.300 1.00 0.00 H new ATOM 0 HA TRP A 100 20.153 -7.547 -6.973 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.287 -8.435 -9.140 1.00 0.00 H new ATOM 0 HB3 TRP A 100 22.771 -8.210 -8.235 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.444 -10.528 -7.254 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.285 -12.534 -6.089 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.701 -8.765 -7.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.618 -13.227 -5.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 16.880 -10.168 -6.620 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.277 -12.329 -5.569 1.00 0.00 H new ATOM 1681 N ASN A 101 23.177 -6.248 -6.675 1.00 0.00 N ATOM 1682 CA ASN A 101 24.127 -5.706 -5.718 1.00 0.00 C ATOM 1683 C ASN A 101 23.715 -4.280 -5.348 1.00 0.00 C ATOM 1684 O ASN A 101 24.347 -3.646 -4.505 1.00 0.00 O ATOM 1685 CB ASN A 101 25.536 -5.653 -6.310 1.00 0.00 C ATOM 1686 CG ASN A 101 26.115 -7.059 -6.477 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.416 -7.752 -5.519 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.254 -7.441 -7.743 1.00 0.00 N ATOM 0 H ASN A 101 23.522 -6.306 -7.633 1.00 0.00 H new ATOM 0 HA ASN A 101 24.129 -6.354 -4.841 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.509 -5.150 -7.277 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.185 -5.064 -5.662 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.632 -8.363 -7.959 1.00 0.00 H new ATOM 0 HD22 ASN A 101 25.982 -6.812 -8.498 1.00 0.00 H new ATOM 1695 N SER A 102 22.657 -3.816 -5.998 1.00 0.00 N ATOM 1696 CA SER A 102 22.153 -2.476 -5.749 1.00 0.00 C ATOM 1697 C SER A 102 21.409 -2.438 -4.412 1.00 0.00 C ATOM 1698 O SER A 102 21.932 -1.930 -3.421 1.00 0.00 O ATOM 1699 CB SER A 102 21.235 -2.014 -6.881 1.00 0.00 C ATOM 1700 OG SER A 102 21.029 -0.604 -6.860 1.00 0.00 O ATOM 0 H SER A 102 22.135 -4.345 -6.697 1.00 0.00 H new ATOM 0 HA SER A 102 23.002 -1.793 -5.705 1.00 0.00 H new ATOM 0 HB2 SER A 102 21.667 -2.303 -7.839 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.274 -2.522 -6.799 1.00 0.00 H new ATOM 0 HG SER A 102 20.439 -0.349 -7.599 1.00 0.00 H new ATOM 1706 N THR A 103 20.201 -2.980 -4.428 1.00 0.00 N ATOM 1707 CA THR A 103 19.380 -3.014 -3.230 1.00 0.00 C ATOM 1708 C THR A 103 19.132 -4.459 -2.794 1.00 0.00 C ATOM 1709 O THR A 103 18.690 -4.706 -1.672 1.00 0.00 O ATOM 1710 CB THR A 103 18.093 -2.236 -3.516 1.00 0.00 C ATOM 1711 OG1 THR A 103 18.417 -0.892 -3.172 1.00 0.00 O ATOM 1712 CG2 THR A 103 16.961 -2.604 -2.556 1.00 0.00 C ATOM 0 H THR A 103 19.770 -3.400 -5.252 1.00 0.00 H new ATOM 0 HA THR A 103 19.886 -2.537 -2.391 1.00 0.00 H new ATOM 0 HB THR A 103 17.775 -2.425 -4.541 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.639 -0.318 -3.328 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.072 -2.024 -2.803 1.00 0.00 H new ATOM 0 HG22 THR A 103 16.738 -3.667 -2.647 1.00 0.00 H new ATOM 0 HG23 THR A 103 17.266 -2.384 -1.533 1.00 0.00 H new ATOM 1720 N ILE A 104 19.426 -5.377 -3.703 1.00 0.00 N ATOM 1721 CA ILE A 104 19.241 -6.791 -3.426 1.00 0.00 C ATOM 1722 C ILE A 104 20.508 -7.350 -2.777 1.00 0.00 C ATOM 1723 O ILE A 104 20.809 -8.535 -2.912 1.00 0.00 O ATOM 1724 CB ILE A 104 18.821 -7.535 -4.696 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.849 -6.695 -5.527 1.00 0.00 C ATOM 1726 CG2 ILE A 104 18.247 -8.912 -4.360 1.00 0.00 C ATOM 1727 CD1 ILE A 104 16.431 -6.773 -4.956 1.00 0.00 C ATOM 0 H ILE A 104 19.791 -5.169 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 104 18.428 -6.936 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 104 19.709 -7.697 -5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 104 18.182 -5.657 -5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 104 17.849 -7.046 -6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.956 -9.419 -5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 104 19.001 -9.504 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.373 -8.795 -3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 104 15.760 -6.167 -5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 104 16.092 -7.809 -4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.430 -6.398 -3.932 1.00 0.00 H new ATOM 1739 N LYS A 105 21.218 -6.470 -2.086 1.00 0.00 N ATOM 1740 CA LYS A 105 22.446 -6.860 -1.415 1.00 0.00 C ATOM 1741 C LYS A 105 22.678 -5.945 -0.211 1.00 0.00 C ATOM 1742 O LYS A 105 22.907 -4.747 -0.372 1.00 0.00 O ATOM 1743 CB LYS A 105 23.613 -6.882 -2.404 1.00 0.00 C ATOM 1744 CG LYS A 105 23.518 -8.090 -3.338 1.00 0.00 C ATOM 1745 CD LYS A 105 23.446 -9.394 -2.541 1.00 0.00 C ATOM 1746 CE LYS A 105 24.481 -10.402 -3.044 1.00 0.00 C ATOM 1747 NZ LYS A 105 23.962 -11.783 -2.921 1.00 0.00 N ATOM 0 H LYS A 105 20.966 -5.488 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 105 22.364 -7.877 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.614 -5.963 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.556 -6.913 -1.858 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.635 -7.997 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.384 -8.111 -4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.617 -9.188 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 105 22.447 -9.821 -2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 105 24.727 -10.191 -4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.403 -10.301 -2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 24.677 -12.455 -3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 23.750 -11.986 -1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 23.094 -11.879 -3.486 1.00 0.00 H new